Structure database (LMSD)

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LM IDLMPR0103740002
Common Namepentalenene
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Pentalenane sesquiterpenoids [PR010374]
PubChem CID11009055
CHEBI ID17251
InChIKeyYGIVIHRLDOVJLL-GUIRCDHDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
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SMILES
[C@@]12([H])CC(C)(C)C[C@]31[C@H](C)CC[C@H]3C(C)=C2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic RingsRotatable Bonds
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
Hydrogen
Bond Acceptors
 logP4.42Molar
Refractivity
64.58