(2S)-2-((2R,8R,8aR)-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-2-naphthalenyl)-1,2-propanediol
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Basic information
- CAS
99694-82-3- Standard SMILES
C[C@@H]1CCCC2=CC[C@@H]([C@](C)(O)CO)C[C@@]21C- InChIKey
XJXXJYGANFEEDD-NMFUWQPSSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Overview
Debneyol is a sesquiterpenoid.
Names & identifiers
- Preferred name
- (2S)-2-((2R,8R,8aR)-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-2-naphthalenyl)-1,2-propanediol
- IUPAC
- (2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol
- English name
- Debneyol
- Molecular formula
- C15H26O2
- Molecular weight
- 238.37
Names & synonyms
Debneyol99694-82-3(2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diolDTXSID50331811(2S)-2-((2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)propane-1,2-diolRefChem:934764DTXCID00282905(2S)-2-((2R,8R,8aR)-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-2-naphthalenyl)-1,2-propanediolC09653CHEBI:4343orb1744201SCHEMBL29639054
Show more names
1,2-Propanediol, 2-[(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl]-, (2S)-
HY-N10058(2S)-2-[(2R,8R,8aR)-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]propane-1,2-diolDA-62734CS-0254728T73401Q27106342
Database identifiers
- CAS
99694-82-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Chemistry & industry
Additional notes
DefinitionChEBI: Debneyol is a sesquiterpenoid.
Related reactions
0 records
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Compound notes
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