1,8-cineole
precursor
Showing entry for 1,8-cineole
Identification
- PhytoHub ID
- PHUB001840
- Name
- 1,8-cineole
- Systematic Name
- 1,8-epoxy-p-menthane
- Synonyms
- 1,8-Cineol
- Cajeputol
- Eucalyptol
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
- InChI Key
- WEEGYLXZBRQIMU-WAAGHKOSSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
- SMILES
C[C@@]12CC[C@@H](CC1)C(C)(C)O2
- Structure
Structure for 1,8-cineole
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
- 45.860899999999994
- Polarizability
- 18.53077533453302
- 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
External Links
- PubChem
- 2758
- Chemistry Dashboard
- DTXSID4020616
- KNApSAcK
- C00000136
- FooDB (Foods)
- FDB014616
- PeakForestCompound
- 29
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- acyclic
Spectra from Phytohub
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found