Structure Database (LMSD)

Common Name
(-)-beta-Pinene
Systematic Name
Synonyms
LM ID
LMPR0102120013
Formula
C10H16
Exact Mass
Calculate m/z
136.1252
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
WTARULDDTDQWMU-IUCAKERBSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
SMILES (Click to copy)
[C@@H]12C(=C)CC[C@@H](C1)C2(C)C

Other Databases

Wikipedia
beta-Pinene
KEGG ID
C06307
HMDB ID
HMDB0036559
CHEBI ID
28359
PubChem CID
440967
Cayman ID
21577

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 150.40
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.00
Molar Refractivity 43.75

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Created at
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Updated at
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