Identification

PhytoHub ID
PHUB000098
Name
Vitispirane
Synonyms
Not Available
CAS Number
Not Available
Average Mass
192.302
Monoisotopic Mass
192.151415264
Chemical Formula
C13H20O
IUPAC Name
2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene
InChI Key
DUPDJVDPPBFBPL-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
SMILES
CC1CCC2(O1)C(=C)C=CCC2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
2.14e-02 g/l
LogS (ALOGPS)
-3.95
LogP (ALOGPS)
4.25
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
9.23
Refractivity
60.03450000000001
Polarizability
22.83171455197106
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.221549307460428
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP005229MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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