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Molecule
ID:108212
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₉H₃₆Cl₂O₂
Molecular Mass
367.39394
Exact Mass
366.20923575
Charge
0
InChI
InChI=1S/C19H36Cl2O2/c1-23-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h18H,2-17H2,1H3
InChIKey
UFFPXRZVLKESJQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCCCCCCCCCC(Cl)Cl
Isomeric Smiles
COC(=O)CCCCCCCCCCCCCCCCC(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.649526
LogD (pH = 7.4)
7.649526
Log P
7.649526
Molar Refractivity
101.1989
Polarizability
40.136898
Polar Surface Area
26.3
Rotatable Bonds
18
Lipinski's Rule of Five
false
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Commercial Catalog
MP Biomedicals
05206486
Academic Data
PubChem
44135866
Names and Identifiers
IUPAC name
methyl 18,18-dichlorooctadecanoate
Synonyms
METHYL DICHLOROSTEARATE
IUPAC Traditional name
methyl 18,18-dichlorooctadecanoate
Registration numbers
PubChem CID
44135866
PubChem SID
162106185
Properties
Product Information
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Molecule Details
MP Biomedicals
05206486
MP Biomedicals Rare Chemical collection
References
PubChem Literature
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Bioactivity
PubChem BioAssay