Identification

PhytoHub ID
PHUB000076
Name
Perillyl aldehyde
Synonyms
  • Perillaldehyde
CAS Number
Not Available
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
(+)-perillaldehyde
InChI Key
RUMOYJJNUMEFDD-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
SMILES
[H]C(=O)C1=CCC(CC1)C(C)=C
Structure

Calculated Properties

Solubility (ALOGPS)
5.81e-01 g/l
LogS (ALOGPS)
-2.41
LogP (ALOGPS)
2.97
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
2
Polar Surface Area
17.07
Refractivity
47.272099999999995
Polarizability
17.295884859075834
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.326978487493531
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP007566MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008695MassBankEI-B Spectrum - -, [M]+*View Spectra
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