Identification

PhytoHub ID
PHUB000081
Name
Rose oxide (cis)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
InChI Key
CZCBTSFUTPZVKJ-NXEZZACHSA-N
InChI Identifier
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1
SMILES
C[C@@H]1CCO[C@@H](C1)C=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.74e-01 g/l
LogS (ALOGPS)
-2.62
LogP (ALOGPS)
3.30
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
9.23
Refractivity
48.491499999999995
Polarizability
19.36395408920628
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.172092453567934
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
JP008361MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008362MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008386MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
LicheeFruit, Tropical fruits PublicationsShow

Metabolism

No metabolism information available

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