Structure Database (LMSD)

Common Name
C25:1 Monocyclic highly branched isoprenoid
Systematic Name
4-isopropyl-1-methyl-3-(2,6,10-trimethyl-dodecan-6-yl)-cyclohex-1-ene
Synonyms
LM ID
LMPR0105020002
Status
Active
Exact Mass
Calculate m/z
348.3756
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)
BSFSYBSOZFHRHQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H48/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h18-21,23-24H,9-17H2,1-8H3
SMILES (Click to copy)
C1(CCC(C)=CC1C(C)(CCCC(C)CC)CCCC(C)C)C(C)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 426.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.66
Molar Refractivity 114.91

Admin

Created at
-
Updated at
-