Structure Database (LMSD)

Common Name
Tricyclene
Systematic Name
1,7,7-trimethyl-tricyclo[2.2.1.0{2,6}]heptane
Synonyms
LM ID
LMPR0102130001
Status
Active
Exact Mass
Calculate m/z
136.1252
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RRBYUSWBLVXTQN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
SMILES (Click to copy)
C12C3CC(C(C)(C)C13C)C2

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2004, 21, 669-693.

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 140.68
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.69
Molar Refractivity 41.59

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Updated at
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