2-(2-chloroethoxy)ethyl methyl carbonate

C6H11ClO4 — CID 103970602

IUPAC2-(2-chloroethoxy)ethyl methyl carbonate
SMILESCOC(=O)OCCOCCCl
InChIInChI=1S/C6H11ClO4/c1-9-6(8)11-5-4-10-3-2-7/h2-5H2,1H3
InChIKeyOQICVISPTLQMAE-UHFFFAOYSA-N
MW182.60 g/mol
LogP1.02
Rot. Bonds5

About 2-(2-chloroethoxy)ethyl methyl carbonate

2-(2-chloroethoxy)ethyl methyl carbonate (PubChem CID 103970602) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethyl methyl carbonate
PubChem CID103970602
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Name2-(2-chloroethoxy)ethyl methyl carbonate
SMILESCOC(=O)OCCOCCCl
InChIInChI=1S/C6H11ClO4/c1-9-6(8)11-5-4-10-3-2-7/h2-5H2,1H3
InChIKeyOQICVISPTLQMAE-UHFFFAOYSA-N
XLogP1.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-(2-chloroethoxy)ethyl N-methylcarbamate
CID 103970595
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
5-chloropentyl methyl carbonate
CID 103970733
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925927
methyl 2-(2-chloroethoxy)acetate
CID 15337474
2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
CID 118305942

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethyl methyl carbonate?
The IUPAC name of 2-(2-chloroethoxy)ethyl methyl carbonate (CID 103970602) is 2-(2-chloroethoxy)ethyl methyl carbonate.
What is the SMILES notation for 2-(2-chloroethoxy)ethyl methyl carbonate?
The canonical SMILES for 2-(2-chloroethoxy)ethyl methyl carbonate is COC(=O)OCCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethyl methyl carbonate?
The InChIKey is OQICVISPTLQMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4/c1-9-6(8)11-5-4-10-3-2-7/h2-5H2,1H3.
What are the key properties of 2-(2-chloroethoxy)ethyl methyl carbonate?
2-(2-chloroethoxy)ethyl methyl carbonate has a molecular weight of 182.60 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethyl methyl carbonate is sourced from PubChem (CID 103970602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).