(1R)-3-Cyclohexene-1-carboxylic acid

C7H10O2CAS 5709-98-8126.16 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C7H10O2
Molar mass
126.16 g/mol
Exact mass
126.0681 Da
Boiling point
90 °C (at 0.2 Torr)
logP
1.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
5709-98-8
SMILES
O=C(O)[C@H]1CC=CCC1
InChIKey
VUSWCWPCANWBFG-LURJTMIESA-N
InChI
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 3-Cyclohexene-1-carboxylic acid, (1R)-
  • 3-Cyclohexene-1-carboxylic acid, (R)-
  • 3-Cyclohexene-1-carboxylic acid, (R)-(+)-
  • (R)-(+)-3-Cyclohexene-1-carboxylic acid
  • (R)-3-Cyclohexenecarboxylic acid
  • (R)-3-Cyclohexene-1-carboxylic acid
  • (R)-Cyclohex-3-enecarboxylicacid
  • (R)-Cyclohex-3-enecarboxylic acid
  • 3-Cyclohexene-1-carboxylic acid (1R)-

Work with (1R)-3-Cyclohexene-1-carboxylic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(-)-3-Cyclohexene-1-carboxylic Acid5708-19-0Enantiomer 3-Cyclohexene-1-carboxylic acid4771-80-6Stereo not defined

Similar compounds

3-Cyclopentene-1-carboxylic acid7686-77-371 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-752 % similar Cyclopropanecarboxylic acid1759-53-152 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar Rel-(1R,2S)-4-Cyclohexene-1,2-dicarboxylic acid2305-26-252 % similar Methyl 4-cyclohexenecarboxylate6493-77-248 % similar Isonipecotic acid498-94-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8

Elsewhere

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