(2R,4R)-(-)-Pentanediol
Properties
- Molecular formula
- C5H12O2
- Molar mass
- 104.15 g/mol
- Exact mass
- 104.0837 Da
- logP
- 0.14Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Stereocentres
- R, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
42075-32-1SMILES
C[C@H](C[C@@H](C)O)OInChIKey
GTCCGKPBSJZVRZ-RFZPGFLSSA-NInChI
InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2,4-Pentanediol, (-)-
Work with (2R,4R)-(-)-Pentanediol
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
4-Methyl-2-pentanol108-11-269 % similar
(2R)-4-Methylpentan-2-ol16404-54-969 % similar
(2R,5R)-2,5-Hexanediol17299-07-960 % similar
2,5-Hexanediol2935-44-660 % similar
(2S,5S)-(+)-Hexanediol34338-96-060 % similar
(-)-2-Butanol14898-79-453 % similar
(+-)-2-Butanol15892-23-653 % similar
(+)-2-Butanol4221-99-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.