chloromethyl 7-chlorodecanoate

C11H20Cl2O2 — CID 543786

IUPACchloromethyl 7-chlorodecanoate
SMILESCCCC(Cl)CCCCCC(=O)OCCl
InChIInChI=1S/C11H20Cl2O2/c1-2-6-10(13)7-4-3-5-8-11(14)15-9-12/h10H,2-9H2,1H3
InChIKeyWOXCLOSQVCNINZ-UHFFFAOYSA-N
MW255.18 g/mol
LogP4.08
Rot. Bonds9

About chloromethyl 7-chlorodecanoate

chloromethyl 7-chlorodecanoate (PubChem CID 543786) has the molecular formula C11H20Cl2O2 and a molecular weight of 255.18 g/mol. Its IUPAC name is chloromethyl 7-chlorodecanoate.

Molecular Properties

Compound Namechloromethyl 7-chlorodecanoate
PubChem CID543786
Molecular FormulaC11H20Cl2O2
Molecular Weight255.18 g/mol
Exact Mass254.08
IUPAC Namechloromethyl 7-chlorodecanoate
SMILESCCCC(Cl)CCCCCC(=O)OCCl
InChIInChI=1S/C11H20Cl2O2/c1-2-6-10(13)7-4-3-5-8-11(14)15-9-12/h10H,2-9H2,1H3
InChIKeyWOXCLOSQVCNINZ-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

chloromethyl 5-chlorooctanoate
CID 525213
chloromethyl hexadecanoate
CID 13014287
ethyl 6,8-dichlorooctanoate
CID 14053
methyl 13-chlorooctadecanoate
CID 13234952
methyl 12-chloroicosanoate
CID 100938376
methyl 11-chlorohexadecanoate
CID 13234969
methyl 11-chloropentadecanoate
CID 86008210
2-chlorooctadecyl 12-hydroxyoctadecanoate
CID 155760407
[5-(chloromethoxy)-5-oxopentyl] 2-methylhexanoate
CID 156724586
ethyl 8,8-dichlorooctanoate
CID 141168236
chloromethyl butanoate
CID 2725008
diethyl 2-methylicosanedioate
CID 87117877

Frequently Asked Questions

What is the IUPAC name of chloromethyl 7-chlorodecanoate?
The IUPAC name of chloromethyl 7-chlorodecanoate (CID 543786) is chloromethyl 7-chlorodecanoate.
What is the SMILES notation for chloromethyl 7-chlorodecanoate?
The canonical SMILES for chloromethyl 7-chlorodecanoate is CCCC(Cl)CCCCCC(=O)OCCl.
What is the InChIKey of chloromethyl 7-chlorodecanoate?
The InChIKey is WOXCLOSQVCNINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2O2/c1-2-6-10(13)7-4-3-5-8-11(14)15-9-12/h10H,2-9H2,1H3.
What are the key properties of chloromethyl 7-chlorodecanoate?
chloromethyl 7-chlorodecanoate has a molecular weight of 255.18 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 7-chlorodecanoate is sourced from PubChem (CID 543786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).