Perillaldehyde
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 0.9617 g/mL (at 18 °C)
- Melting point
- below 25 °C
- Boiling point
- 240 °C
- logP
- 2.49Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
2111-75-3SMILES
C=C(C)C1CC=C(C=O)CC1InChIKey
RUMOYJJNUMEFDD-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-
- 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-
- 4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde
- Perilla aldehyde
- 4-Isopropenyl-1-cyclohexene-1-carboxaldehyde
- Perillal
- p-Mentha-1,8-dien-7-al
- Perillyl aldehyde
- 4-Isopropenyl-1-cyclohexenecarboxaldehyde
- 4-(2-Propenyl)-1-cyclohexenecarboxaldehyde
- (±)-Perillaldehyde
- Dl-Perillaldehyde
- NSC 138642
- 1,8-p-Menthadien-7-al
- 4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carboxaldehyde
- Perillic aldehyde
Work with Perillaldehyde
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern