Structure Database (LMSD)

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

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
Cayman ID

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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