chempirical

Dodecenylsuccinic acid

C16H28O4CAS 29658-97-7284.40 g/mol

Open in Covalent MOL file
OOHOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C16H28O4
Molar mass
284.40 g/mol
Exact mass
284.1988 Da
logP
4.25Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
13
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
29658-97-7
SMILES
CCCCCCCCCC/C=C/C(CC(=O)O)C(=O)O
InChIKey
QDCPNGVVOWVKJG-VAWYXSNFSA-N
InChI
InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20)/b12-11+

Weigh it out

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

Names and synonyms

5 names
  • Butanedioic acid, 2-(dodecen-1-yl)-
  • Succinic acid, dodecenyl-
  • Butanedioic acid, dodecenyl-
  • 2-(Dodecen-1-yl)butanedioic acid
  • T 746

Work with Dodecenylsuccinic 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

Elaidic acid112-79-855 % similar Oleic acid112-80-155 % similar Erucic acid112-86-755 % similar Palmitoleic acid373-49-955 % similar 9-Eicosenoic acid506-31-055 % similar Brassidic acid506-33-255 % similar Nervonic acid506-37-655 % similar 11-Eicosenoic acid5561-99-955 % similar

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

Elsewhere

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