chempirical

1-(1-Propynyl)cyclohexanol

C9H14OCAS 697-37-0138.21 g/mol

Open in Covalent MOL file
HO
AlcoholAlkyne

Properties

Molecular formula
C9H14O
Molar mass
138.21 g/mol
Exact mass
138.1045 Da
logP
1.70Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
697-37-0
SMILES
CC#CC1(CCCCC1)O
InChIKey
UTISCLIDFORRJP-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O/c1-2-6-9(10)7-4-3-5-8-9/h10H,3-5,7-8H2,1H3

Weigh it out

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

Work with 1-(1-Propynyl)cyclohexanol

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

1,1'-Ethynylenedicyclohexanol78-54-665 % similar 1-Ethynylcyclohexanol78-27-344 % similar 1-Hydroxycyclohexanecarbonitrile931-97-544 % similar 1-Ethynylcyclopentanol17356-19-340 % similar 1-Methylcyclohexanol590-67-036 % similar 1-Ethylcyclohexanol1940-18-733 % similar 1-Methylcyclopentanol1462-03-932 % similar 3-Ethyl-1-heptyn-3-ol5396-61-231 % similar

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

Same formula

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-5 2-Pentylfuran3777-69-3 Phorone504-20-1 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-6 Trans,cis-2,6-Nonadienal557-48-2 2,4-Nonadienal5910-87-2 Nona-2,4-dienal6750-03-4 Triplal68039-49-6

Elsewhere

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