Structure Database (LMSD)

Common Name
3-Copaene
Systematic Name
Synonyms
LM ID
LMPR0103830002
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Copaane sesquiterpenoids [PR010383]

String Representations

InChiKey (Click to copy)
VLXDPFLIRFYIME-RIUMEUQESA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14?,15?/m1/s1
SMILES (Click to copy)
C1C[C@]2([C@]3([H])[C@@H](C(C)C)CCC2(C3C=1C)C)[H]

Other Databases

PubChem CID
42608201

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 220.74
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.27
Molar Refractivity 64.51

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Created at
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Updated at
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