Basic information
- CAS
32904-22-6- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1- InChIKey
QBEFIFWEOSUTKV-UHFFFAOYSA-N- Molecular formula
- C25H38O2
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.28718045
Names & identifiers
- Preferred name
- 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-ol
- IUPAC
- 6,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
- English name
- 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-ol
- Molecular formula
- C25H38O2
- Molecular weight
- 370.57
Names & synonyms
32904-22-63-(1,2-Dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-ol3-(1,2-Dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-olRefChem:92038DIMETHYLHEPTYLPYRANDMHPAbbott 40824SP 8EA 1476944O1KA97GNSC-255166,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
Show more names
QBEFIFWEOSUTKV-UHFFFAOYSA-N6H-Dibenzo[b,d]pyran-1-ol, 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-
delta(sup 3)-ThcDimethylheptyl-delta6a,10a-tetrahydrocannabinolNSC 25516BRN 0313640UNII-944O1KA97GSP-8delta(3,4)-DimethylheptyltetrahydrocannabinolABT 40824
Database identifiers
- CAS
32904-22-6- PubChem CID
- 36276
- DTXSID
DTXSID60954555- ChEMBL
CHEMBL3244434- UNII
- 944O1KA97G
- Nikkaji
- J53.923F
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 170 · 170-173 °C(Press: 0.04 Torr)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 10.01 · 10.01±0.60(Predicted)
- form
- buffered aqueous solution
- biological source
- rabbit
- FDA UNII
- 944 O1KA97G · 944O1KA97G
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- WGK Germany
- nwg
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety data
- wgk
- nwg
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesDimethylheptylpyran belongs to the cannabinoid class of molecule. Capable of binding to the cannabinoid receptor in cerebral cortex membranes effecting antinociception, hypothermia and catalepsy
Related reactions
5 records
Compound notes
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