Identification

PhytoHub ID
PHUB000070
Name
Nerol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
nerol
InChI Key
GLZPCOQZEFWAFX-YFHOEESVSA-N
InChI Identifier
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
SMILES
CC(C)=CCC\C(C)=C/CO
Structure

Calculated Properties

Solubility (ALOGPS)
1.37e+00 g/l
LogS (ALOGPS)
-2.05
LogP (ALOGPS)
2.89
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
20.23
Refractivity
51.1821
Polarizability
19.29002922323904
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.2170474067293595
pKa (strongest acidic)
16.330024218725743
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000120MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000121MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000248MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000321MassBankEI-B Spectrum - -, [M]+*View Spectra
JP003419MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005514MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005515MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005792MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005799MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006595MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006609MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007383MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007542MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007553MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007562MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007633MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007634MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007722MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007933MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008375MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008377MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008386MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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