3-Heptyn-1-ol

C7H12OCAS 14916-79-1112.17 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

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

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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

Similar compounds

3-Octyn-1-ol14916-80-471 % similar Non-3-yn-1-ol31333-13-868 % similar 3-Decyn-1-ol51721-39-265 % similar 4-Octyne1942-45-665 % similar 3-Hexyn-1-ol1002-28-462 % similar Hex-2-yn-1-ol764-60-362 % similar 4-Nonyne20184-91-252 % similar Hept-3-yne2586-89-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook