Structure Database (LMSD)

Common Name
C25 Highly branched isoprenoid
Systematic Name
2,6,10,14-tetramethyl-7-(3-methyl-pentyl)-pentadecane
Synonyms
LM ID
LMPR0105010013
Formula
C25H52
Exact Mass
Calculate m/z
352.4069
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]
Acyclic sesterterpenoids [PR010501]

String Representations

InChiKey (Click to copy)
OFIAQLKCCAODLR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H52/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h20-25H,9-19H2,1-8H3
SMILES (Click to copy)
CC(CCCC(C)C(CCC(C)CCCC(C)C)CCC(CC)C)C

Other Databases

CHEBI ID
191273
PubChem CID
14275206

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 441.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.13
Molar Refractivity 117.12

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Created at
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Updated at
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