chempirical

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

C9H14OCAS 114311-70-5138.21 g/mol

Open in Covalent MOL file
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

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+

Weigh it out

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

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

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 (E,E)-2,4-Nonadienal5910-87-2 2,4-Nonadienal6750-03-4 Triplal68039-49-6 Isophorone78-59-1

Elsewhere

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