chempirical

Cycloundecanecarboxylic acid

C12H22O2CAS 831-67-4198.31 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
logP
3.60Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
831-67-4
SMILES
C1CCCCCC(CCCC1)C(=O)O
InChIKey
BHECNPOVJVTHKS-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h11H,1-10H2,(H,13,14)

Weigh it out

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

Names and synonyms

2 names
  • Cycloundecanecarboxylicacid
  • Cycloundecanecarboxylic

Work with Cycloundecanecarboxylic 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

Cycloheptanecarboxylic acid1460-16-8100 % similar Cyclohexanecarboxylic acid26764-36-3100 % similar Cyclohexanecarboxylic acid98-89-5100 % similar Cyclopentanecarboxylic acid3400-45-194 % similar Cyclobutanecarboxylic acid3721-95-784 % similar 2-Hexyldecanoic acid25354-97-675 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-774 % similar Cyclopropanecarboxylic acid1759-53-174 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 (1,1'-Bi(cyclohexane))-2,2'-diol17385-36-3 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1

Elsewhere

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