Pinanediol
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- logP
- 1.16Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
- Stereocentres
- R, R, R, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
22422-34-0SMILES
C[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1O)OInChIKey
MOILFCKRQFQVFS-BDNRQGISSA-NInChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (1R,2R,3S,5R)-(-)-2,3-Pinanediol
Work with Pinanediol
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Methyl-2-adamantanol702-98-739 % similar
α-Pinene oxide1686-14-237 % similar
(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-636 % similar
(1R,2R,5R)-(+)-2-Hydroxy-3-pinanone24047-72-136 % similar
Isoborneol124-76-532 % similar
D-Borneol464-43-732 % similar
(-)-Borneol464-45-932 % similar
Borneol507-70-032 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds