Basic information
- CAS
35570-59-3- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1- InChIKey
ZJNVIVRSORGHEF-UHFFFAOYSA-N- Molecular formula
- C23H34O2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.25588033
Names & identifiers
- Preferred name
- Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-
- IUPAC
- 4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
Names & synonyms
BRN 122220335570-59-31,2,3,4-Tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)cyclopenta(c)(1)benzopyran-9-olCyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-RefChem:335843CHEMBL3276135SCHEMBL11734041SCHEMBL31546201DTXSID60956958ZJNVIVRSORGHEF-UHFFFAOYSA-N4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-ol4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][1]benzopyran
Show more names
4,4-Dimethyl-9-hydroxy-7-(3methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(1,2-dimethylheptyl)-1,2,3,4-tetrahydrocyclopenta[ c][l]benzopyran4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1]benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][ l] benzopyran
Database identifiers
- CAS
35570-59-3- PubChem CID
- 215348
- DTXSID
DTXSID60956958- ChEMBL
CHEMBL3276135
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
11 records
Compound notes
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