2-(1-chloroethoxy)ethyl acetate

C6H11ClO3 — CID 10888290

IUPAC2-(1-chloroethoxy)ethyl acetate
SMILESCC(=O)OCCOC(C)Cl
InChIInChI=1S/C6H11ClO3/c1-5(7)9-3-4-10-6(2)8/h5H,3-4H2,1-2H3
InChIKeyDDLFMEKLTNWITI-UHFFFAOYSA-N
MW166.60 g/mol
LogP1.15
Rot. Bonds4

About 2-(1-chloroethoxy)ethyl acetate

2-(1-chloroethoxy)ethyl acetate (PubChem CID 10888290) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is 2-(1-chloroethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(1-chloroethoxy)ethyl acetate
PubChem CID10888290
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name2-(1-chloroethoxy)ethyl acetate
SMILESCC(=O)OCCOC(C)Cl
InChIInChI=1S/C6H11ClO3/c1-5(7)9-3-4-10-6(2)8/h5H,3-4H2,1-2H3
InChIKeyDDLFMEKLTNWITI-UHFFFAOYSA-N
XLogP1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloroheptyl acetate
CID 527863
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-chloropropyl acetate
CID 527885
3-butan-2-yloxypropyl acetate
CID 134215719
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
CID 158105337
CID 158105337
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
5,5-dichloropentyl acetate
CID 57290861

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethoxy)ethyl acetate?
The IUPAC name of 2-(1-chloroethoxy)ethyl acetate (CID 10888290) is 2-(1-chloroethoxy)ethyl acetate.
What is the SMILES notation for 2-(1-chloroethoxy)ethyl acetate?
The canonical SMILES for 2-(1-chloroethoxy)ethyl acetate is CC(=O)OCCOC(C)Cl.
What is the InChIKey of 2-(1-chloroethoxy)ethyl acetate?
The InChIKey is DDLFMEKLTNWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-5(7)9-3-4-10-6(2)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1-chloroethoxy)ethyl acetate?
2-(1-chloroethoxy)ethyl acetate has a molecular weight of 166.60 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethoxy)ethyl acetate is sourced from PubChem (CID 10888290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).