Structure Database (LMSD)

Common Name
(-)-Isocomene
Systematic Name
Synonyms
LM ID
LMPR0103760002
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]
Isocomane sesquiterpenoids [PR010376]

String Representations

InChiKey (Click to copy)
SAOJPWFHRMUCFN-MYPMTAMASA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m0/s1
SMILES (Click to copy)
[C@@]123[C@@H](C)CC[C@]1(C)C(C)=C[C@@]2(C)CCC3

Other Databases

Wikipedia
Isocomene
PubChem CID
11030948

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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Created at
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Updated at
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