chloromethyl 2-chlorodecanoate

C11H20Cl2O2 — CID 543259

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

About chloromethyl 2-chlorodecanoate

chloromethyl 2-chlorodecanoate (PubChem CID 543259) has the molecular formula C11H20Cl2O2 and a molecular weight of 255.18 g/mol. Its IUPAC name is chloromethyl 2-chlorodecanoate.

Molecular Properties

Compound Namechloromethyl 2-chlorodecanoate
PubChem CID543259
Molecular FormulaC11H20Cl2O2
Molecular Weight255.18 g/mol
Exact Mass254.08
IUPAC Namechloromethyl 2-chlorodecanoate
SMILESCCCCCCCCC(Cl)C(=O)OCCl
InChIInChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-8-10(13)11(14)15-9-12/h10H,2-9H2,1H3
InChIKeyZBWKSSOXFUXWPK-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'}

Analyze chloromethyl 2-chlorodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-chlorohexanoate
CID 141267998
butyl 2,5-dichloropentanoate
CID 22111746
2-chlorooctadecanoyl chloride
CID 20512617
2-chloro-N-methylheptanamide
CID 62224207
nonadecan-5-yl 2-chloropentanoate
CID 172761780
9-chlorooctadecan-8-one
CID 54543005
methyl 2,8-dichlorooctanoate
CID 175529720
chloromethyl hexadecanoate
CID 13014287
2,4-dichlorononan-3-one
CID 91753635
dimethyl 2-dodecylpropanedioate
CID 158514957
octyl 2-chloro-3-fluoropropanoate
CID 169291146
3-chloro-1,1,1-trifluorohexadecan-2-one
CID 18325945

Frequently Asked Questions

What is the IUPAC name of chloromethyl 2-chlorodecanoate?
The IUPAC name of chloromethyl 2-chlorodecanoate (CID 543259) is chloromethyl 2-chlorodecanoate.
What is the SMILES notation for chloromethyl 2-chlorodecanoate?
The canonical SMILES for chloromethyl 2-chlorodecanoate is CCCCCCCCC(Cl)C(=O)OCCl.
What is the InChIKey of chloromethyl 2-chlorodecanoate?
The InChIKey is ZBWKSSOXFUXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-8-10(13)11(14)15-9-12/h10H,2-9H2,1H3.
What are the key properties of chloromethyl 2-chlorodecanoate?
chloromethyl 2-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 2-chlorodecanoate is sourced from PubChem (CID 543259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).