Identification

PhytoHub ID
PHUB000021
Name
2-vinyl-2-methyl-tetrahydrofuran-5-one
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
126.155
Monoisotopic Mass
126.068079562
Chemical Formula
C7H10O2
IUPAC Name
5-ethenyl-5-methyloxolan-2-one
InChI Key
QESPSAHXYXIGBG-UHFFFAOYNA-N
InChI Identifier
InChI=1/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
SMILES
CC1(CCC(=O)O1)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
9.66e+00 g/l
LogS (ALOGPS)
-1.12
LogP (ALOGPS)
1.49
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
26.3
Refractivity
33.779199999999996
Polarizability
13.190702810126563
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-7.0617137391233475
pKa (strongest acidic)
Not Available
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP010012MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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