Structure Database (LMSD)

Common Name
1-(3-methylpentadecyl)-3-nonylcyclopentane
Systematic Name
1-(3-methylpentadecyl)-3-nonylcyclopentane
Synonyms
LM ID
LMFA11000010
Status
Active
Exact Mass
Calculate m/z
420.4695
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
QIOAXSCBIPZQIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60/c1-4-6-8-10-12-13-14-16-17-19-21-28(3)23-24-30-26-25-29(27-30)22-20-18-15-11-9-7-5-2/h28-30H,4-27H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCC1CC(CC1)CCC(C)CCCCCCCCCCCC

References

Reference
PubMed ID: 16306681
Comments
Submitted by Henry Boumann, Netherlands

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Recent advances in structural research on ether lipids from archaea including comparative and physiological aspects.,
Biosci Biotechnol Biochem, 2005
Pubmed ID: 16306681

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 515.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.27
Molar Refractivity 138.30

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Updated at
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