3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
Basic information
- CAS
19898-58-9- Standard SMILES
CC1(O)CC2C(CC1O)C2(C)C- InChIKey
AHVKNBRJVKCGKJ-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
- IUPAC
- 3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol
- English name
- 3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol57526-47-33,4-DIHYDROXYCARANE22556-08-7carane-3,4-diol(1alpha,3beta,4alpha,6alpha)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol(1alpha,3beta,4alpha,6alpha)-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol19898-59-019898-60-3(1S-(1alpha,3beta,4alpha,6alpha))-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol[1S-(1alpha,3beta,4alpha,6alpha)]-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol
Show more names
Einecs 260-788-9Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-
SPBio_001682(1alpha,3beta,4beta,6alpha)-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol(1alpha,3alpha,4alpha,6alpha)-3,7,7-Trimethylbicyclo(4.1.0)heptane-3,4-diol3,4-caranediolEINECS 243-414-9EINECS 243-415-4EINECS 243-417-5EINECS 243-418-0
Database identifiers
- CAS
19898-58-9、19898-59-0、19898-60-3、19898-61-4、22556-08-7、57457-02-0、57526-47-3- PubChem CID
- 89242
- DTXSID
DTXSID30862517- ChEMBL
CHEMBL3039109- EC Number
- 243-415-4、243-417-5、245-075-2、260-788-9
- Nikkaji
- J296.721I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
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