1-Ethynylcyclopentanol

C₇H₁₀OCAS 17356-19-3110.16 g/mol

Open in Covalent MOL file

Alcohol Alkyne

Properties

Molecular formula: C₇H₁₀O
Molar mass: 110.16 g/mol
Exact mass: 110.0732 Da
Density: 0.9746 g/mL (at 20 °C)
Melting point: 27 °C
Boiling point: 157.5 °C
logP: 0.92Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor88.9% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation91.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

17356-19-3

SMILES

C#CC1(O)CCCC1

InChIKey

LQMDOONLLAJAPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2

Weigh it out

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

Names and synonyms

3 names

Cyclopentanol, 1-ethynyl-
1-Ethynyl-1-cyclopentanol
NSC 134047

Work with 1-Ethynylcyclopentanol

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-Ethynylcyclohexanol78-27-394 % similar 3-Ethyl-1-heptyn-3-ol5396-61-256 % similar 3-Ethyl-1-pentyn-3-ol6285-06-955 % similar 1,1'-Ethynylenedicyclohexanol78-54-650 % similar 1-Hydroxycyclohexanecarbonitrile931-97-543 % similar 1-(1-Propynyl)cyclohexanol697-37-040 % similar 2-Methylbut-3-yn-2-ol115-19-535 % similar 3,6-Dimethyl-1-heptyn-3-ol19549-98-533 % similar

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

Same formula

Tetrahydrobenzaldehyde100-50-5 Dicyclopropyl ketone1121-37-5 2-Cyclohepten-1-one1121-66-0 1-Cyclohexene-1-carboxaldehyde1192-88-7 3-Methyl-2-cyclohexen-1-one1193-18-6 4-Ethynyltetrahydro-2H-py...1202245-65-5 5-Norbornen-2-ol13080-90-5 4,4-Dimethyl-2-cyclopenten-1-one22748-16-9

Elsewhere

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