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
Formula
C25H48
Exact Mass
Calculate m/z
348.3756
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Cyclohexane sesterterpenoids [PR010502]

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

Other Databases

PubChem CID
42608274

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

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Updated at
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