4a,6a-Dimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydrocyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one
Basic information
- CAS
2061-75-8- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4OC(=O)CCC4(C)C3CCC12C- InChIKey
OCRQTYXHLVPEOL-UHFFFAOYSA-N- Molecular formula
- C26H42O2
- Average molar mass
- 386.6 g/mol
- Monoisotopic mass
- 386.31848058
Names & identifiers
- Preferred name
- 4a,6a-Dimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydrocyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one
- IUPAC
- 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]chromen-7-one
Names & synonyms
2061-75-8NSC404755DTXSID10323732NSC-4047554a,6a-Dimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydrocyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one
Database identifiers
- CAS
2061-75-8- PubChem CID
- 346503
- DTXSID
DTXSID10323732
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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