1-(1,2-dichloroethoxy)ethyl acetate

C6H10Cl2O3 — CID 19766036

IUPAC1-(1,2-dichloroethoxy)ethyl acetate
SMILESCC(=O)OC(C)OC(Cl)CCl
InChIInChI=1S/C6H10Cl2O3/c1-4(9)10-5(2)11-6(8)3-7/h5-6H,3H2,1-2H3
InChIKeyOCPUXKMEQQCNFK-UHFFFAOYSA-N
MW201.05 g/mol
LogP1.72
Rot. Bonds4

About 1-(1,2-dichloroethoxy)ethyl acetate

1-(1,2-dichloroethoxy)ethyl acetate (PubChem CID 19766036) has the molecular formula C6H10Cl2O3 and a molecular weight of 201.05 g/mol. Its IUPAC name is 1-(1,2-dichloroethoxy)ethyl acetate.

Molecular Properties

Compound Name1-(1,2-dichloroethoxy)ethyl acetate
PubChem CID19766036
Molecular FormulaC6H10Cl2O3
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Name1-(1,2-dichloroethoxy)ethyl acetate
SMILESCC(=O)OC(C)OC(Cl)CCl
InChIInChI=1S/C6H10Cl2O3/c1-4(9)10-5(2)11-6(8)3-7/h5-6H,3H2,1-2H3
InChIKeyOCPUXKMEQQCNFK-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
1-silyloxyethyl acetate
CID 174935938
1-[4-(1-acetyloxyethoxy)butoxy]ethyl acetate
CID 87519780
1-chlorobutan-2-yl acetate
CID 12575174
1-hexan-2-yloxyethyl acetate
CID 87208887
[(2S)-1-chloro-3-oxopropan-2-yl] acetate
CID 87405340
(1-chloro-1-hydroxypropan-2-yl) acetate
CID 87865269
propan-2-yl (3S)-3-acetyloxy-4-chlorobutanoate
CID 101216826
2-chloropropane;methyl acetate
CID 157293612
1-chlorobut-3-en-2-yl acetate
CID 12671643
[1-chloro-3-(chloromethoxy)propan-2-yl] acetate
CID 172857835
propane;propan-2-yl acetate
CID 23325886

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dichloroethoxy)ethyl acetate?
The IUPAC name of 1-(1,2-dichloroethoxy)ethyl acetate (CID 19766036) is 1-(1,2-dichloroethoxy)ethyl acetate.
What is the SMILES notation for 1-(1,2-dichloroethoxy)ethyl acetate?
The canonical SMILES for 1-(1,2-dichloroethoxy)ethyl acetate is CC(=O)OC(C)OC(Cl)CCl.
What is the InChIKey of 1-(1,2-dichloroethoxy)ethyl acetate?
The InChIKey is OCPUXKMEQQCNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O3/c1-4(9)10-5(2)11-6(8)3-7/h5-6H,3H2,1-2H3.
What are the key properties of 1-(1,2-dichloroethoxy)ethyl acetate?
1-(1,2-dichloroethoxy)ethyl acetate has a molecular weight of 201.05 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dichloroethoxy)ethyl acetate is sourced from PubChem (CID 19766036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).