chloromethyl 3-chloropentanoate

C6H10Cl2O2 — CID 525204

IUPACchloromethyl 3-chloropentanoate
SMILESCCC(Cl)CC(=O)OCCl
InChIInChI=1S/C6H10Cl2O2/c1-2-5(8)3-6(9)10-4-7/h5H,2-4H2,1H3
InChIKeyOJAHETHLCCYRJD-UHFFFAOYSA-N
MW185.05 g/mol
LogP2.13
Rot. Bonds4

About chloromethyl 3-chloropentanoate

chloromethyl 3-chloropentanoate (PubChem CID 525204) has the molecular formula C6H10Cl2O2 and a molecular weight of 185.05 g/mol. Its IUPAC name is chloromethyl 3-chloropentanoate.

Molecular Properties

Compound Namechloromethyl 3-chloropentanoate
PubChem CID525204
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Exact Mass184.01
IUPAC Namechloromethyl 3-chloropentanoate
SMILESCCC(Cl)CC(=O)OCCl
InChIInChI=1S/C6H10Cl2O2/c1-2-5(8)3-6(9)10-4-7/h5H,2-4H2,1H3
InChIKeyOJAHETHLCCYRJD-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(3-chloropentanoyloxy)heptyl 3-chloropentanoate
CID 146451348
chloromethyl 5-chlorooctanoate
CID 525213
chloromethyl butanoate
CID 2725008
ethyl 3-chloro-4-(2-chloro-4-ethoxy-4-oxobutoxy)butanoate
CID 131842821
chloromethyl 7-chlorodecanoate
CID 543786
chloromethyl 2-ethyl-3-oxobutanoate
CID 174900145
chloromethyl hexadecanoate
CID 13014287
3-chloropentyl 2,2-dichloroacetate
CID 13030353
chloromethyl 2-methylpent-2-enoate
CID 174869785
chloromethyl propyl carbonate
CID 22595330
acetonitrile;chloromethyl butanoate
CID 175291971
diethyl 2-(3-chloropentyl)propanedioate
CID 139991355

Frequently Asked Questions

What is the IUPAC name of chloromethyl 3-chloropentanoate?
The IUPAC name of chloromethyl 3-chloropentanoate (CID 525204) is chloromethyl 3-chloropentanoate.
What is the SMILES notation for chloromethyl 3-chloropentanoate?
The canonical SMILES for chloromethyl 3-chloropentanoate is CCC(Cl)CC(=O)OCCl.
What is the InChIKey of chloromethyl 3-chloropentanoate?
The InChIKey is OJAHETHLCCYRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O2/c1-2-5(8)3-6(9)10-4-7/h5H,2-4H2,1H3.
What are the key properties of chloromethyl 3-chloropentanoate?
chloromethyl 3-chloropentanoate has a molecular weight of 185.05 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 3-chloropentanoate is sourced from PubChem (CID 525204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).