6,6-Dimethyl-1-hepten-4-yn-3-ol

C₉H₁₄OCAS 78629-20-6138.21 g/mol

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Properties

Molecular formula: C₉H₁₄O
Molar mass: 138.21 g/mol
Exact mass: 138.1045 Da
logP: 1.58Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

78629-20-6

SMILES

C=CC(O)C#CC(C)(C)C

InChIKey

MOWPBNFGGOHZRW-UHFFFAOYSA-N

InChI

InChI=1S/C9H14O/c1-5-8(10)6-7-9(2,3)4/h5,8,10H,1H2,2-4H3

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

Names and synonyms

3 names

1-Hepten-4-yn-3-ol, 6,6-dimethyl-
6,6-Dimethylhept-1-ene-4-yne-3-ol
3-Hydroxy-6,6-dimethylhept-1-ene-4-yne

Work with 6,6-Dimethyl-1-hepten-4-yn-3-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

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 (E,E)-2,4-Nonadienal5910-87-2 2,4-Nonadienal6750-03-4 Triplal68039-49-6

Elsewhere

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