(-)-1,3-Butanediol

C₄H₁₀O₂CAS 6290-03-590.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₂
Molar mass: 90.12 g/mol
Exact mass: 90.0681 Da
logP: -0.25Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

6290-03-5

SMILES

C[C@@H](O)CCO

InChIKey

PUPZLCDOIYMWBV-SCSAIBSYSA-N

InChI

InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

1,3-Butanediol, (3R)-
1,3-Butanediol, (R)-(-)-
1,3-Butanediol, (R)-
(3R)-1,3-Butanediol
L-Butane-1,3-diol
(R)-(-)-1,3-Butanediol
(R)-1,3-Butanediol
(3R)-Butane-1,3-diol
(3R)-Butan-1,3-diol

Work with (-)-1,3-Butanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1,3-Butanediol107-88-0 Propylene glycol methyl ether107-98-2 1,4-Butanediol110-63-4 Dimethoxyethane110-71-4 2-Ethoxyethanol110-80-5 2-Methoxy-1-propanol1589-47-5 3-Methoxy-1-propanol1589-49-7 (+)-2,3-Butanediol19132-06-0

Elsewhere

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