Structure database (LMSD)

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LM IDLMPR0105020002
Common NameC25:1 Monocyclic highly branched isoprenoid
Systematic Name4-isopropyl-1-methyl-3-(2,6,10-trimethyl-dodecan-6-yl)-cyclohex-1-ene
Synonyms-
Exact Mass
348.3756 (neutral)    Calculate m/z:
FormulaC25H48
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cyclohexane sesterterpenoids [PR010502]
PubChem CID42608274
InChIKeyBSFSYBSOZFHRHQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)2
0(4)5/h18-21,23-24H,9-17H2,1-8H3
SMILESC1(CCC(C)=CC1C(C)(CCCC(C)CC)CCCC(C)C)C(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
426.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.66Molar
Refractivity
114.91