Structure database (LMSD)

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LM IDLMPR0105020003
Common NameC25:3 Monocyclic highly branched isoprenoid
Systematic Name1-methyl-4-(prop-1-en-2-yl)-3-(2,6,10-trimethyl-dodec-11-en-6-yl)-cyclohex-1-
ene
Synonyms-
Exact Mass
344.3443 (neutral)    Calculate m/z:
FormulaC25H44
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cyclohexane sesterterpenoids [PR010502]
PubChem CID21777398
InChIKeyBOZVIOBNRKAICT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H44/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/h9,18-19,21,23-24H,1,4,10-17H2,2-3,5-8H3
SMILESC1(CCC(C)=CC1C(C)(CCCC(C)C=C)CCCC(C)C)C(C)=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
420.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.36Molar
Refractivity
114.79