Identification

PhytoHub ID
PHUB000061
Name
Linalool oxide (trans-pyran)
Synonyms
  • trans-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyran
CAS Number
Not Available
Average Mass
170.252
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol
InChI Key
BCTBAGTXFYWYMW-WPRPVWTQSA-N
InChI Identifier
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m0/s1
SMILES
[H]O[C@H]1CC[C@@](C)(OC1(C)C)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
1.58e+00 g/l
LogS (ALOGPS)
-2.03
LogP (ALOGPS)
1.68
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
29.46
Refractivity
49.04409999999999
Polarizability
19.40922108096057
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.2343299434074497
pKa (strongest acidic)
14.004275392301214
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP008388MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010696MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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