1-Cyclohexyl-2-buten-1-ol

C₁₀H₁₈OCAS 18736-82-8154.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈O
Molar mass: 154.25 g/mol
Exact mass: 154.1358 Da
logP: 2.50Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

18736-82-8

SMILES

C/C=C/C(C1CCCCC1)O

InChIKey

WZIIBXRIIUAFOT-QHHAFSJGSA-N

InChI

InChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+

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Names and synonyms

1 names

1-Cyclohexyl-2-buten-1-ol (c,t)

Work with 1-Cyclohexyl-2-buten-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

1-Cyclohexylethanol1193-81-341 % similar 1-Cyclopentylethanol52829-98-837 % similar α-Propylcyclohexanemethanol4352-42-537 % similar Bicyclohexyl92-51-336 % similar Isopropylcyclohexane696-29-735 % similar (+-)-3-Penten-2-ol1569-50-233 % similar (±)-2-Dodecanol10203-28-832 % similar (±)-2-Decanol1120-06-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citric106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

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