7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Basic information
- Standard SMILES
CC(C)(O)C1CCC2(C)CCCC(C)(O)C2C1- InChIKey
LKKDASYGWYYFIK-UHFFFAOYSA-N- Molecular formula
- C15H28O2
- Average molar mass
- 240.38 g/mol
- Monoisotopic mass
- 240.20893013
Overview
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol is a eudesmane sesquiterpenoid.
Names & identifiers
- Preferred name
- 7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
- IUPAC
- 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Names & synonyms
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-olRefChem:3100837-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-olCompound NP-008257orb3172173SCHEMBL28502578DTXSID20874760(1S,4aS,7R,8aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyldecahydronaphthalen-1-olCHEBI:190661LKKDASYGWYYFIK-UHFFFAOYSA-NEAA66684MFCD20261026
Show more names
AKOS040739358NCGC00385844-01T1302857-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol7-(2-Hydroxypropan-2-yl)-1,4a-dimethyldecahydronaphthalen-1-ol(1R,8a|A)-1,4a|A-Dimethyl-7|A-(1-hydroxy-1-methylethyl)decalin-1|A-ol
Database identifiers
- PubChem CID
- 4655876
- DTXSID
DTXSID20874760- ChEBI
CHEBI:190661
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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