Basic information
- CAS
53404-49-2- Standard SMILES
CC1(C)C2CC(O)C(C)(O)C1C2- InChIKey
MOILFCKRQFQVFS-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Overview
2,3-pinanediol (mixed isomers) has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 2,3-Pinanediol
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
Names & synonyms
2,3-Pinanediol53404-49-22,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol0YBA7G0JSHNSC-71454Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-DTXSID30413262,6,6-trimethylbicyclo(3.1.1)heptane-2,3-diolRefChem:81934DTXCID1021326DHS Activator(1S,2S,3R,5S)-(+)-Pinanediol
Show more names
Caswell No. 442UNII-0YBA7G0JSHPinololPinene, ethylene glycol ether2,6,6-trimethylnorpinane-2,3-diol2,3-cis-pinanediol2,3-exo-pinanediolEPA Pesticide Chemical Code 042101
Database identifiers
- CAS
53404-49-2- PubChem CID
- 62044
- DTXSID
DTXSID3041326- UNII
- 0YBA7G0JSH
- Nikkaji
- J671.499D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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