1,2-Pentanediol

C₅H₁₂O₂CAS 5343-92-0104.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₂O₂
Molar mass: 104.15 g/mol
Exact mass: 104.0837 Da
Density: 0.9691 g/mL (at 24 °C)
Boiling point: 210–211 °C
logP: 0.14Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

5343-92-0

SMILES

CCCC(O)CO

InChIKey

WCVRQHFDJLLWFE-UHFFFAOYSA-N

InChI

InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names

1,2-Dihydroxypentane
(±)-Pentane-1,2-diol
NSC 513
1,2-Pentylene glycol
Hydrolite 5
Diol PD

Work with 1,2-Pentanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Hexanediol6920-22-573 % similar 4-Heptanol589-55-968 % similar 1,2-Octanediol1117-86-867 % similar 1,2-Decanediol1119-86-467 % similar 1,2-Dodecanediol1119-87-567 % similar 1,2-Tetradecanediol21129-09-967 % similar 1,2-Hexadecanediol6920-24-767 % similar 3-Hexanol623-37-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Isopropoxyethanol109-59-1 1,5-Pentanediol111-29-5 4-Methoxy-1-butanol111-32-0 3-Ethoxy-1-propanol111-35-3 Neopentyl glycol126-30-7 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3

Elsewhere

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