1-(2-butan-2-yl-5-hydroxy-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-hydroxypropan-1-one
Basic information
- Standard SMILES
CCC(C)C1C(C)=CC2C(O)C(C)CC(C)C2C1(C)C(=O)CCO- InChIKey
INRRKSNDPRKXCH-UHFFFAOYSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.26644501
Names & identifiers
- Preferred name
- 1-(2-butan-2-yl-5-hydroxy-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-hydroxypropan-1-one
- IUPAC
- 1-(2-butan-2-yl-5-hydroxy-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-hydroxypropan-1-one
Names & synonyms
Compound NP-017083orb3171585DTXSID701350017AKOS040738538T1294451-(2-butan-2-yl-5-hydroxy-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-hydroxypropan-1-one
Database identifiers
- PubChem CID
- 51136336
- DTXSID
DTXSID701350017
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
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Related reactions
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Compound notes
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