2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran

Identification

PhytoHub ID
PHUB000020
Name
2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran
Synonyms
  • Ocimen quintoxide
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
5-(but-2-en-2-yl)-2,2-dimethyloxolane
InChI Key
LPEYLSKLVYWOEQ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3
SMILES
CC=C(C)C1CCC(C)(C)O1
Structure

Calculated Properties

Solubility (ALOGPS)
4.38e-01 g/l
LogS (ALOGPS)
-2.55
LogP (ALOGPS)
3.82
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
9.23
Refractivity
48.3989
Polarizability
19.067621249071962
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.21342096490661
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000248MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000321MassBankEI-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
JP007562MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007933MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008386MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow

Metabolism

No metabolism information available

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