precursor

Showing entry for Pinene-beta

Identification

PhytoHub ID
PHUB000080
Name
Pinene-beta
Synonyms
  • Nopinene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
β-PINENE
InChI Key
WTARULDDTDQWMU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
SMILES
CC1(C)C2CC1C(=C)CC2
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
6.37e-02 g/l
LogS (ALOGPS)
-3.33
LogP (ALOGPS)
3.94
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
43.6498
Polarizability
17.13920708674177
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
JP000246MassBankEI-B Spectrum - -, [M]+*View Spectra
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005734MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007118MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007567MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Metabolism

No metabolism information available

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