Identification

PhytoHub ID
PHUB001027
Name
Myrtenol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
myrtenol
InChI Key
RXBQNMWIQKOSCS-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
SMILES
CC1(C)C2CC1C(CO)=CC2
Structure

Calculated Properties

Solubility (ALOGPS)
1.67e+00 g/l
LogS (ALOGPS)
-1.96
LogP (ALOGPS)
2.71
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
46.497
Polarizability
18.106480804141814
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.8813307803677821
pKa (strongest acidic)
17.097551942460488
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Pinene-alphaTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Pinene-alpha Myrtenolrabbiturine Publications
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