Structure database (LMSD)

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LM IDLMPR0102130001
Common NameTricyclene
Systematic Name1,7,7-trimethyl-tricyclo[2.2.1.0{2,6}]heptane
Synonyms-
Exact Mass
136.1252 (neutral)    Calculate m/z:
FormulaC10H16
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Tricyclic monoterpenoids [PR010213]
PubChem Compound ID (CID)79035
InChIKeyRRBYUSWBLVXTQN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
SMILESCC1(C)C2CC3C(C2)C13C
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2004, 21, 669-693.
Calculated physicochemical properties (?):
 Heavy Atoms10Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
140.68Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP2.69Molar
Refractivity
41.59    
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