chempirical

1-Cyclohexene-1-acetic acid

C8H12O2CAS 18294-87-6140.18 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Melting point
38 °C
Boiling point
140 °C (at 12 Torr)
logP
1.96Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
18294-87-6
SMILES
O=C(O)CC1=CCCCC1
InChIKey
KDFBPHXESBPHTK-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,9,10)

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Names and synonyms

6 names
  • 1-Cyclohexenylacetic acid
  • Cyclohexene-1-acetic acid
  • 2-(Cyclohex-1-enyl)acetic acid
  • NSC 14103
  • (1-Cyclohexen-1-yl)acetic acid
  • 2-(1-Cyclohexen-1-yl)acetic acid

Work with 1-Cyclohexene-1-acetic 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

6-Heptenoic acid1119-60-447 % similar Undecylenic acid112-38-945 % similar 9-Decenoic acid14436-32-945 % similar Pimelic acid111-16-044 % similar Sebacic acid111-20-644 % similar Pentadecanedioic acid1460-18-044 % similar Heptadecanedioic acid2424-90-044 % similar Eicosanedioic acid2424-92-244 % similar

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

Same formula

Vinylcyclohexene dioxide106-87-6 Dimedone126-81-8 1-Cyclohexenyl acetate1424-22-2 2,4-Hexadienyl acetate1516-17-2 Methyl 1-cyclohexene-1-carboxylate18448-47-0 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1 3-Ethoxy-2-cyclohexen-1-one5323-87-5

Elsewhere

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