Structure Database (LMSD)

Common Name
2-chlorostearaldehyde
Systematic Name
2-chlorooctadecanal
Synonyms
LM ID
LMFA06000280
Status
Active
Exact Mass
Calculate m/z
302.237643
Formula


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

Main

Classification

String Representations

InChiKey (Click to copy)
GNHIIABOYVKCMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h17-18H,2-16H2,1H3
SMILES (Click to copy)
C(C(Cl)CCCCCCCCCCCCCCCC)(=O)[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Chromatographic methods for the analyses of 2-halofatty aldehydes and chlorohydrin molecular species of lysophosphatidylcholine.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
Pubmed ID: 19091635

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 341.32
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.95
Molar Refractivity 91.15

Admin

Created at
26th Apr 2021
Updated at
26th Apr 2021