1-Hydroxy-6,6-dimethyl-2-heptene-4-yne

C9H14OCAS 114311-70-5138.21 g/mol

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OH
AlcoholAlkeneAlkyne

Properties

Molecular formula
C9H14O
Molar mass
138.21 g/mol
Exact mass
138.1045 Da
logP
1.58Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Double bonds
EE/Z, in SMILES order

Hazards

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

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Identifiers

CAS number
114311-70-5
SMILES
CC(C)(C)C#C/C=C/CO
InChIKey
GALYLLJOCKLAGD-GQCTYLIASA-N
InChI
InChI=1S/C9H14O/c1-9(2,3)7-5-4-6-8-10/h4,6,10H,8H2,1-3H3/b6-4+

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Work with 1-Hydroxy-6,6-dimethyl-2-heptene-4-yne

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-Bromo-6,6-dimethylhept-2-en-4-yne126764-15-657 % similar 1-Chloro-6,6-dimethyl-2-hepten-4-yne126764-17-857 % similar 1-Chloro-6,6-dimethyl-2-hepten-4-yne287471-30-157 % similar (2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne78629-21-757 % similar (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-253 % similar 2-Butene-1,4-diol110-64-535 % similar cis-Butene-1,4-diol6117-80-235 % similar trans-2-Butene-1,4-diol821-11-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 1-(1-Propynyl)cyclohexanol697-37-0

Elsewhere

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