Structure Database (LMSD)
Common Name
9,10-dichloro-octadecanoic acid
Systematic Name
9,10-dichloro-octadecanoic acid
Synonyms
- 18:0(9Cl,10Cl)
LM ID
LMFA01090059
Formula
C18H34Cl2O2
Exact Mass
Calculate m/z
352.193586
Status
Active
3D model of 9,10-dichloro-octadecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IOVDLGFDMIRNLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34Cl2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC(Cl)C(Cl)CCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Anguilla anguilla
(#7936)
Actinopteri
(#186623)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Prog Lipid Res, 2002
Pubmed ID:
11958814
Aurelia aurita
(#6145)
Scyphozoa
(#6142)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Prog Lipid Res, 2002
Pubmed ID:
11958814
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
365.32
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.34
Molar Refractivity
98.25
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Created at
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Updated at
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