3-Heptyn-1-ol

C₇H₁₂OCAS 14916-79-1112.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O
Molar mass: 112.17 g/mol
Exact mass: 112.0888 Da
Density: 0.8976 g/mL (at 20 °C)
Boiling point: 79–80 °C (at 18 Torr)
logP: 1.17Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

14916-79-1

SMILES

CCCC#CCCO

InChIKey

PSWHODJVUOXHKA-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-Hydroxy-3-heptyne

Work with 3-Heptyn-1-ol

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 Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3-Cyclohexene-1-methanol1679-51-2 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8 Cyclohexanecarboxaldehyde2043-61-0 1,6-Heptadien-4-ol2883-45-6

Elsewhere

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