Identification

PhytoHub ID
PHUB000036
Name
Citronellol
Synonyms
  • 3,7-dimethyloct-6-en-1-ol
CAS Number
Not Available
Average Mass
156.269
Monoisotopic Mass
156.151415264
Chemical Formula
C10H20O
IUPAC Name
citronellol, (+-)-
InChI Key
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
SMILES
CC(CCO)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
8.46e-01 g/l
LogS (ALOGPS)
-2.27
LogP (ALOGPS)
3.48
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
50.48609999999999
Polarizability
20.050753718442103
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.8759770595769654
pKa (strongest acidic)
17.10979181623922
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP006933MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006935MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007386MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007387MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007388MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007389MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007547MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008379MassBankEI-B Spectrum - -, [M]+*View Spectra

Metabolism

No metabolism information available

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