6H-Dibenzo(b,d)pyran-1-ol, 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-, 1-acetate
Basic information
- CAS
39624-99-2- Standard SMILES
CCCCCC(C)C(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1- InChIKey
RFIQQBXUDNGUKS-UHFFFAOYSA-N- Molecular formula
- C27H40O3
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.29774513
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6H-Dibenzo(b,d)pyran-1-ol, 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-, 1-acetate
- IUPAC
- [6,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl] acetate
- English name
- 1-hydroxy-3-(1',2'-dimethylheptyl)-6,6,9-trimethyl-7,8,9,10-tetrahydro-6-dibenzopyran acetate
- Molecular weight
- 0
Names & synonyms
DMHPA39624-99-2EA-22331-Hydroxy-3-(1',2'-dimethylheptyl)-6,6,9-trimethyl-7,8,9,10-tetrahydro-6-dibenzopyran acetateRefChem:9141066H-Dibenzo(b,d)pyran-1-ol, 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-, 1-acetate6H-Dibenzo(b,d)pyran-1-ol, 3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-, acetate[6,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl] acetateSCHEMBL11739647DTXSID50960226RFIQQBXUDNGUKS-UHFFFAOYSA-NEA 2233
Show more names
1-acetoxy-3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo[ b,d]pyran6,6,9-Trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl acetate
Database identifiers
- CAS
39624-99-2
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
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Related reactions
2 records
Compound notes
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