Structure Database (LMSD)
Common Name
Cembrene
Systematic Name
Synonyms
3D model of Cembrene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
DMHADBQKVWXPPM-HPKGDXISSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+
SMILES (Click to copy)
C1(CCC(C)=CCCC(C)=CCC=C(C)C=C1)C(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
331.64
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
6.62
Molar Refractivity
91.82
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Created at
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Updated at
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