7-(Hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

HCID 565696

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Basic information

CAS: 54831-21-9
Standard SMILES: CC12CCC(CC1O)C2(C)CO
InChIKey: NMQKRFRZSBQYQF-UHFFFAOYSA-N
Molecular formula: C10H18O2
Average molar mass: 170.25 g/mol
Monoisotopic mass: 170.13067981

Names & identifiers

Preferred name: 7-(Hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
IUPAC: 7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
English name: 2,9-Bornanediol
Molecular formula: C10H18O2
Molecular weight: 170.25

Names & synonyms

2,9-Bornanediol7-(Hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-olBicyclo[2.2.1]heptane-7-methanol, 2-hydroxy-1,7-dimethyl-2-Hydroxy-1,7-dimethylbicyclo[2.2.1]heptane-7-methanolNMQKRFRZSBQYQF-UHFFFAOYSA-NDTXSID30120837754831-21-97-(Hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol #2,8-Bornanediol

Database identifiers

CAS: 54831-21-9
PubChem CID: 565696
DTXSID: DTXSID301208377
Nikkaji: J102.316K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 204

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