2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate

C13H22Cl2O6 — CID 118067128

IUPAC2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate
SMILESCC(COC(=O)CCl)OCC(C)OCC(C)OC(=O)CCl
InChIInChI=1S/C13H22Cl2O6/c1-9(19-8-11(3)21-13(17)5-15)6-18-10(2)7-20-12(16)4-14/h9-11H,4-8H2,1-3H3
InChIKeyBEJXLCWLGXEMOG-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.75
Rot. Bonds11

About 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate

2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate (PubChem CID 118067128) has the molecular formula C13H22Cl2O6 and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate.

Molecular Properties

Compound Name2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate
PubChem CID118067128
Molecular FormulaC13H22Cl2O6
Molecular Weight345.22 g/mol
Exact Mass344.08
IUPAC Name2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate
SMILESCC(COC(=O)CCl)OCC(C)OCC(C)OC(=O)CCl
InChIInChI=1S/C13H22Cl2O6/c1-9(19-8-11(3)21-13(17)5-15)6-18-10(2)7-20-12(16)4-14/h9-11H,4-8H2,1-3H3
InChIKeyBEJXLCWLGXEMOG-UHFFFAOYSA-N
XLogP1.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-[2-[2-(3-sulfanylbutanoyloxy)propoxy]propoxy]propyl 3-sulfanylbutanoate
CID 87066127
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
2-[2-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
CID 59193488
4-chlorobutan-2-yl 2-chloroacetate
CID 11521199
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
CID 131978337
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
[2-[1-(2-azaniumylacetyl)oxypropan-2-yloxy]-2-oxoethyl]azanium
CID 162453594
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
CID 59202459
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate?
The IUPAC name of 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate (CID 118067128) is 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate.
What is the SMILES notation for 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate?
The canonical SMILES for 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate is CC(COC(=O)CCl)OCC(C)OCC(C)OC(=O)CCl.
What is the InChIKey of 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate?
The InChIKey is BEJXLCWLGXEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2O6/c1-9(19-8-11(3)21-13(17)5-15)6-18-10(2)7-20-12(16)4-14/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate?
2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate has a molecular weight of 345.22 g/mol, XLogP of 1.75, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate is sourced from PubChem (CID 118067128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).