PhytoHub: Showing entry for linalool oxide (trans-furan)

linalool oxide (trans-furan)

Identification

PhytoHub ID

PHUB000060

Name

linalool oxide (trans-furan)

Systematic Name

Not Available

Synonyms

trans-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuran

CAS Number

Not Available

Average Mass

184.279

Monoisotopic Mass

184.146329884

Chemical Formula

C₁₁H₂₀O₂

IUPAC Name

2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol

InChI Key

SUOCCLKULOHEBG-MNOVXSKESA-N

InChI Identifier

InChI=1S/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11+/m1/s1

SMILES

[H]OC(C)(C)[C@]1(C)CC[C@](C)(O1)C=C

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.52e-01 g/l
LogS (ALOGPS): -2.72
LogP (ALOGPS): 1.99
Hydrogen Acceptors: 2
Hydrogen Donors: 1
Rotatable Bond Count: 2
Polar Surface Area: 29.46
Refractivity: 53.6823
Polarizability: 21.267649369536123
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -3.1878398448367196
pKa (strongest acidic): 14.11056276900613
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Monoterpenoids
Sub-class: Not Available

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

	Name	Group
	Grape	Fruit, Berries	Publications	Show
	Grape wine	Beverages, Alcoholic	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for linalool oxide (trans-furan)