4,6-Dimethylhept-1-en-4-ol

C₉H₁₈OCAS 32189-75-6142.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈O
Molar mass: 142.24 g/mol
Exact mass: 142.1358 Da
logP: 2.36Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Identifiers

CAS number

32189-75-6

SMILES

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

InChIKey

YUJFBCFZSKPSCZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O/c1-5-6-9(4,10)7-8(2)3/h5,8,10H,1,6-7H2,2-4H3

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Work with 4,6-Dimethylhept-1-en-4-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

3,5-Dimethyl-3-hexanol4209-91-053 % similar 4-Methyl-1-pentene691-37-238 % similar 4,4-Dimethyl-1-pentene762-62-938 % similar 2,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-336 % similar 5-Methyl-1-hexene3524-73-035 % similar Tetrahydrolinalool78-69-335 % similar 2,2,4-Trimethylpentane540-84-134 % similar 3,5-Dimethyl-1-hexyn-3-ol107-54-033 % similar

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

Same formula

(Z)-3-Nonen-1-ol10340-23-5 Isobutyl ketone108-83-8 3,3,5-Trimethylcyclohexanol116-02-9 Nonanal124-19-6 1-Nonen-3-ol21964-44-3 trans-2-Nonen-1-ol31502-14-4 cis-6-Nonen-1-ol35854-86-5 4-Nonanone4485-09-0

Elsewhere

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