Basic information
- CAS
16849-50-6- Standard SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21- InChIKey
CYQFCXCEBYINGO-UHFFFAOYSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Overview
6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is a 1-benzopyran.
Names & identifiers
- Preferred name
- 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo(c)chromen-1-ol
- IUPAC
- 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
- English name
- 6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol
- Molecular formula
- C21H30O2
- Molecular weight
- 314.46
Names & synonyms
DTXSID208596936,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo(c)chromen-1-olRefChem:1073561DTXCID102091086,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol16849-50-66a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-olDelta 9-THCTHC, delta 9.DELTA.1-Tetrahydrocannabinol(-)-.DELTA.9-THC
Show more names
(L)-.delta.1-TetrahydrocannabinolCannabinol, .DELTA.1-tetrahydro-(-)-.DELTA.1-Tetrahydrocannabinol(-)-.DELTA.9-Tetrahydrocannabinol.DELTA.9-trans-TetrahydrocannabinolL-.delta.1-trans-TetrahydrocannabinolL-trans-.delta.9-Tetrahydrocannabinol(+)-?9-THC
Database identifiers
- CAS
16849-50-6- PubChem CID
- 2978
- DTXSID
DTXSID20859693- ChEBI
CHEBI:143723- Nikkaji
- J280.524C
Properties
Computed structural properties
- XLogP
- 7
- 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
- 439
Chemistry & industry
Additional notes
DefinitionChEBI: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is a 1-benzopyran.
Related reactions
6 records
Compound notes
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