Basic information
- CAS
6692-85-9- Standard SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC21- InChIKey
XKRHRBJLCLXSGE-UHFFFAOYSA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- C(11)-Methyl-hexahydrocannabinol
- IUPAC
- 6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
- English name
- C(11)-methyl-hexahydrocannabinol
- Molecular formula
- C21H32O2
- Molecular weight
- 316.48
Names & synonyms
C(11)-Methyl-hexahydrocannabinolC(11)-Methyl-hhc6692-85-9RefChem:1224666a,7,8,9,10,10a-Hexahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl- (VAN)6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-olSCHEMBL13214090SCHEMBL30195696DTXSID20985587PD165938C23215
Show more names
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-
6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol #6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran-1-ol
Database identifiers
- CAS
6692-85-9- PubChem CID
- 522237
- DTXSID
DTXSID20985587
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 390.2 · 390.2±31.0 °C(Predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…