Identification

PhytoHub ID
PHUB000034
Name
Cineol (1,8-)
Systematic Name
Not Available
Synonyms
  • Cajeputol
  • Eucalyptol
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
InChI Key
WEEGYLXZBRQIMU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES
CC12CCC(CC1)C(C)(C)O2
Structure

Calculated Properties

Solubility (ALOGPS)
2.25e-02 g/l
LogS (ALOGPS)
-3.84
LogP (ALOGPS)
3.36
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
9.23
Refractivity
45.8609
Polarizability
18.538015531968256
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.205900916339655
pKa (strongest acidic)
Not Available
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Precursor

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
["Cyclic monoterpenes", "Menthane monoterpenoids", "a monoterpenoid"]
Substituent Names
["Aliphatic heteropolycyclic compound", "Dialkyl ether", "Ether", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Oxane"]

Spectra from Online Resources

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
CardamomHerbs and Spices PublicationsShow
Common sageHerbs and Spices PublicationsShow
NutmegHerbs and Spices PublicationsShow
PepperHerbs and Spices PublicationsShow
RosemaryHerbs and Spices PublicationsShow
Sweet basilHerbs and Spices PublicationsShow
Sweet bayHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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