Identification

PhytoHub ID
PHUB000029
Name
Carane
Synonyms
Not Available
CAS Number
Not Available
Average Mass
138.254
Monoisotopic Mass
138.14085058
Chemical Formula
C10H18
IUPAC Name
carane
InChI Key
BWRHOYDPVJPXMF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
SMILES
CC1CCC2C(C1)C2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.89e-03 g/l
LogS (ALOGPS)
-4.55
LogP (ALOGPS)
4.02
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
43.872299999999996
Polarizability
18.00665223408209
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP006005MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006006MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006008MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006009MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007401MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
CheeseMilk and milk products PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Carane Carane 9,10-dicarboxylic acidrabbiturine Publications
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