Identification

PhytoHub ID
PHUB000081
Name
Rose oxide (cis)
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
cis-(-)-rose oxide
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[[email protected]@H]1CCO[[email protected]@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
19.36395408919362
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.172092453567934
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

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Oxanes
Super-class
Organoheterocyclic compounds
Sub-class
Not Available
Direct Parent Name
Oxanes
Alternative Parent Names
["Dialkyl ethers", "Hydrocarbon derivatives", "Oxacyclic compounds"]
External Descriptor Annotations
Not Available
Substituent Names
["Aliphatic heteromonocyclic compound", "Dialkyl ether", "Ether", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Oxane"]

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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