chempirical

2,2-Dimethylnonanoic acid

C11H22O2CAS 14250-75-0186.29 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C11H22O2
Molar mass
186.29 g/mol
Exact mass
186.1620 Da
logP
3.46Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
14250-75-0
SMILES
CCCCCCCC(C)(C)C(=O)O
InChIKey
GZWHUSJKYLPRHF-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13)

Weigh it out

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

Work with 2,2-Dimethylnonanoic acid

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

2,2-Dimethylpentanoic acid1185-39-371 % similar Etc 1002738606-46-762 % similar 2,2-Dimethylbutanoic acid595-37-953 % similar 1-Methylcyclohexanecarboxylic acid1123-25-752 % similar 2,2-Dimethylglutaric acid681-57-252 % similar Dipropylmalonic acid1636-27-748 % similar Hydroxypivalic acid4835-90-948 % similar 3-Chloro-2,2-dimethylpropanoic acid13511-38-147 % similar

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

Same formula

Hexyl 2-methylbutanoate10032-15-2 Methyl decanoate110-42-9 Undecylic acid112-37-8 Ethyl nonanoate123-29-5 Nonyl acetate143-13-5 Isoamyl hexanoate2198-61-0 2-Ethylhexyl glycidyl ether2461-15-6 7-Methoxy-3,7-dimethyloctanal3613-30-7

Elsewhere

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