Structure Database (LMSD)

Common Name
Cyperene
Systematic Name
Synonyms
LM ID
LMPR0103450002
Status
Active
Exact Mass
Calculate m/z
204.1878
Formula
C15H24
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Patchoulane sesquiterpenoids [PR010345]

String Representations

InChiKey (Click to copy)
RTBLDXVIGWSICW-JMSVASOKSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m1/s1
SMILES (Click to copy)
[C@]123C(C)(C)[C@H](CC[C@H]1C)CC2=C(C)CC3

References

Other Databases

PubChem CID
12308843

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.56
Molar Refractivity 64.65

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Updated at
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