[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate

C10H14Cl2O4 — CID 11587091

IUPAC[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate
SMILESO=C(CCl)OC1CCC(OC(=O)CCl)CC1
InChIInChI=1S/C10H14Cl2O4/c11-5-9(13)15-7-1-2-8(4-3-7)16-10(14)6-12/h7-8H,1-6H2
InChIKeyFJKQXDGSPAFIFO-UHFFFAOYSA-N
MW269.12 g/mol
LogP1.86
Rot. Bonds4

About [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate

[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate (PubChem CID 11587091) has the molecular formula C10H14Cl2O4 and a molecular weight of 269.12 g/mol. Its IUPAC name is [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate.

Molecular Properties

Compound Name[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate
PubChem CID11587091
Molecular FormulaC10H14Cl2O4
Molecular Weight269.12 g/mol
Exact Mass268.03
IUPAC Name[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate
SMILESO=C(CCl)OC1CCC(OC(=O)CCl)CC1
InChIInChI=1S/C10H14Cl2O4/c11-5-9(13)15-7-1-2-8(4-3-7)16-10(14)6-12/h7-8H,1-6H2
InChIKeyFJKQXDGSPAFIFO-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate?
The IUPAC name of [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate (CID 11587091) is [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate.
What is the SMILES notation for [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate?
The canonical SMILES for [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate is O=C(CCl)OC1CCC(OC(=O)CCl)CC1.
What is the InChIKey of [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate?
The InChIKey is FJKQXDGSPAFIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2O4/c11-5-9(13)15-7-1-2-8(4-3-7)16-10(14)6-12/h7-8H,1-6H2.
What are the key properties of [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate?
[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate has a molecular weight of 269.12 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate is sourced from PubChem (CID 11587091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).