Identification

PhytoHub ID
PHUB000032
Name
Carvomenthenol (4-)
Systematic Name
Not Available
Synonyms
  • Terpineol (4-)
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
(+)-4-terpineol
InChI Key
WRYLYDPHFGVWKC-SNVBAGLBSA-N
InChI Identifier
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1
SMILES
CC(C)[[email protected]]1(O)CCC(C)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
2.50e+00 g/l
LogS (ALOGPS)
-1.79
LogP (ALOGPS)
2.81
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
48.30789999999999
Polarizability
18.975854030004072
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.6121113415408137
pKa (strongest acidic)
19.999288199495165
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
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Monoterpenoids
Direct Parent Name
Menthane monoterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Monocyclic monoterpenoids", "Tertiary alcohols"]
External Descriptor Annotations
Not Available
Substituent Names
["Alcohol", "Aliphatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic monoterpenoid", "Organic oxygen compound", "Organooxygen compound", "P-menthane monoterpenoid", "Tertiary alcohol"]

Spectra

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow

Metabolism

No metabolism information available

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