ethyl 2-carbonochloridoyloxyacetate

C5H7ClO4 — CID 13397505

IUPACethyl 2-carbonochloridoyloxyacetate
SMILESCCOC(=O)COC(=O)Cl
InChIInChI=1S/C5H7ClO4/c1-2-9-4(7)3-10-5(6)8/h2-3H2,1H3
InChIKeyGNALEXUCJNFKLC-UHFFFAOYSA-N
MW166.56 g/mol
LogP0.92
Rot. Bonds3

About ethyl 2-carbonochloridoyloxyacetate

ethyl 2-carbonochloridoyloxyacetate (PubChem CID 13397505) has the molecular formula C5H7ClO4 and a molecular weight of 166.56 g/mol. Its IUPAC name is ethyl 2-carbonochloridoyloxyacetate.

Molecular Properties

Compound Nameethyl 2-carbonochloridoyloxyacetate
PubChem CID13397505
Molecular FormulaC5H7ClO4
Molecular Weight166.56 g/mol
Exact Mass166.00
IUPAC Nameethyl 2-carbonochloridoyloxyacetate
SMILESCCOC(=O)COC(=O)Cl
InChIInChI=1S/C5H7ClO4/c1-2-9-4(7)3-10-5(6)8/h2-3H2,1H3
InChIKeyGNALEXUCJNFKLC-UHFFFAOYSA-N
XLogP0.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
sodium;ethyl carbonochloridate;hydroxide
CID 159645066
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
bis(2-ethoxy-2-oxoethyl) (Z)-but-2-enedioate
CID 139903578
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 172843337
CID 172843337
ethyl 2-chloroacetate
CID 7751
ethyl carbonochloridate;oxirane
CID 174958217
bis(2-ethoxy-2-oxoethoxy)-oxophosphanium
CID 19009409
ethyl carbonobromidate;ethyl carbonochloridate
CID 157350669
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-carbonochloridoyloxyacetate?
The IUPAC name of ethyl 2-carbonochloridoyloxyacetate (CID 13397505) is ethyl 2-carbonochloridoyloxyacetate.
What is the SMILES notation for ethyl 2-carbonochloridoyloxyacetate?
The canonical SMILES for ethyl 2-carbonochloridoyloxyacetate is CCOC(=O)COC(=O)Cl.
What is the InChIKey of ethyl 2-carbonochloridoyloxyacetate?
The InChIKey is GNALEXUCJNFKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO4/c1-2-9-4(7)3-10-5(6)8/h2-3H2,1H3.
What are the key properties of ethyl 2-carbonochloridoyloxyacetate?
ethyl 2-carbonochloridoyloxyacetate has a molecular weight of 166.56 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-carbonochloridoyloxyacetate is sourced from PubChem (CID 13397505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).