Basic information
- CAS
19908-51-1- Standard SMILES
CC1(C)[C@@H](CO)CC[C@@]1(C)CO- InChIKey
SHBHXOXBWWDHLT-SCZZXKLOSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol
- IUPAC
- [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol
Names & synonyms
19908-51-1rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanolRefChem:37907968510-42-9((1R,3S)-1,2,2-trimethylcyclopentane-1,3-diyl)dimethanol(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol[(1R,3S)-1,2,2-Trimethylcyclopentane-1,3-diyl]dimethanolSCHEMBL51459SHBHXOXBWWDHLT-SCZZXKLOSA-NDTXSID201209439F96545(1r,3s)-(1,2,2-trimethylcyclopentane-1,3-diyl)-dimethanol
Database identifiers
- CAS
19908-51-1- PubChem CID
- 7053987
- DTXSID
DTXSID201209439- Nikkaji
- J803.657H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
1 records
Compound notes
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