2,2-Dimethylnonanoic acid

C₁₁H₂₂O₂CAS 14250-75-0186.29 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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-Dimethylhexanoic acid813-72-985 % similar 2,2-Dimethylpentanoic acid1185-39-371 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-970 % similar 2,2,14,14-Tetramethyl-8-oxopentadecanedioic acid413624-71-266 % similar ETC 1002738606-46-762 % similar Bismuth neodecanoate34364-26-654 % similar 2,2-Dimethylbutanoic acid595-37-953 % similar 1-Methylcyclohexanecarboxylic acid1123-25-752 % 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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