6428926
  DSViewer          3D                             0

 26 27  0  0  0  0  0  0  0  0999 V2000
    5.7554    0.9858    1.1311 O   0  0  0  0  0  0  0  0  0  1
    4.7881   -2.1140    0.1249 O   0  0  0  0  0  0  0  0  0  2
    5.5625    2.0536    0.1256 C   0  0  0  0  0  0  0  0  0  3
    5.3054    0.6299   -0.1932 C   0  0  3  0  0  0  0  0  0  4
    3.8366    0.1929   -0.3307 C   0  0  0  0  0  0  0  0  0  5
    6.8502    2.6464   -0.4738 C   0  0  0  0  0  0  0  0  0  6
    4.3209    2.9488    0.3206 C   0  0  0  0  0  0  0  0  0  7
    3.7375   -1.2810   -0.0870 C   0  0  0  0  0  0  0  0  0  8
    2.6158   -1.9770   -0.0484 C   0  0  0  0  0  0  0  0  0  9
    2.9476   -3.3557    0.2033 C   0  0  0  0  0  0  0  0  0 10
    1.2316   -1.4261   -0.2346 C   0  0  0  0  0  0  0  0  0 11
    4.2814   -3.3981    0.3016 C   0  0  0  0  0  0  0  0  0 12
    6.0605    0.1588   -0.8375 H   0  0  0  0  0  0  0  0  0 13
    3.2279    0.7250    0.4004 H   0  0  0  0  0  0  0  0  0 14
    3.4809    0.4210   -1.3354 H   0  0  0  0  0  0  0  0  0 15
    6.5923    3.4191   -1.1980 H   0  0  0  0  0  0  0  0  0 16
    7.4167    1.8585   -0.9703 H   0  0  0  0  0  0  0  0  0 17
    7.4549    3.0820    0.3217 H   0  0  0  0  0  0  0  0  0 18
    4.2816    3.6945   -0.4734 H   0  0  0  0  0  0  0  0  0 19
    4.3819    3.4502    1.2866 H   0  0  0  0  0  0  0  0  0 20
    3.4208    2.3349    0.2866 H   0  0  0  0  0  0  0  0  0 21
    2.2549   -4.1924    0.2949 H   0  0  0  0  0  0  0  0  0 22
    0.5043   -2.2335   -0.1505 H   0  0  0  0  0  0  0  0  0 23
    1.1521   -0.9675   -1.2203 H   0  0  0  0  0  0  0  0  0 24
    1.0321   -0.6768    0.5314 H   0  0  0  0  0  0  0  0  0 25
    4.8748   -4.2929    0.4895 H   0  0  0  0  0  0  0  0  0 26
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  8  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 12  2  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6428926

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
177

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAEgAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAADFSgmAIyBIAABECIAqhSgAACCAAkIAAIiAEGCMgMJjaENRqCGSCl4BEIqYfKyPCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methyl-furan

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(3,3-dimethyl-2-oxiranyl)methyl]-3-methylfuran

> <PUBCHEM_IUPAC_NAME>
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methyl-furan

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methyl-furan

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
BVTAIXWVSMPSFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
166.099

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O2

> <PUBCHEM_MOLECULAR_WEIGHT>
166.217

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(OC=C1)CC2C(O2)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(OC=C1)CC2C(O2)(C)C

> <PUBCHEM_CACTVS_TPSA>
25.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
166.099

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
2  12  8
2  8  8
4  13  3
8  9  8
9  10  8

$$$$
