ethyl 2-chloro-2-methoxypropanoate

C6H11ClO3 — CID 139826833

IUPACethyl 2-chloro-2-methoxypropanoate
SMILESCCOC(=O)C(C)(Cl)OC
InChIInChI=1S/C6H11ClO3/c1-4-10-5(8)6(2,7)9-3/h4H2,1-3H3
InChIKeyAZDKWKLEZANTNV-UHFFFAOYSA-N
MW166.60 g/mol
LogP1.15
Rot. Bonds3

About ethyl 2-chloro-2-methoxypropanoate

ethyl 2-chloro-2-methoxypropanoate (PubChem CID 139826833) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is ethyl 2-chloro-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 2-chloro-2-methoxypropanoate
PubChem CID139826833
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Nameethyl 2-chloro-2-methoxypropanoate
SMILESCCOC(=O)C(C)(Cl)OC
InChIInChI=1S/C6H11ClO3/c1-4-10-5(8)6(2,7)9-3/h4H2,1-3H3
InChIKeyAZDKWKLEZANTNV-UHFFFAOYSA-N
XLogP1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
diethyl 2-chloro-2-[(2-chloro-1,3-diethoxy-1,3-dioxopropan-2-yl)disulfanyl]propanedioate
CID 10837297
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
diethyl 2-chloro-2-formylpropanedioate
CID 13315764
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
diethyl 2-chloro-2-(2-chloroethyl)propanedioate
CID 12521129
diethyl 4-chloro-2,2,4-trimethylhexanedioate
CID 131861412
ethyl (2S,3R)-3-iodo-2-methoxy-2-methylpentanoate
CID 11779530

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-methoxypropanoate?
The IUPAC name of ethyl 2-chloro-2-methoxypropanoate (CID 139826833) is ethyl 2-chloro-2-methoxypropanoate.
What is the SMILES notation for ethyl 2-chloro-2-methoxypropanoate?
The canonical SMILES for ethyl 2-chloro-2-methoxypropanoate is CCOC(=O)C(C)(Cl)OC.
What is the InChIKey of ethyl 2-chloro-2-methoxypropanoate?
The InChIKey is AZDKWKLEZANTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-4-10-5(8)6(2,7)9-3/h4H2,1-3H3.
What are the key properties of ethyl 2-chloro-2-methoxypropanoate?
ethyl 2-chloro-2-methoxypropanoate has a molecular weight of 166.60 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-methoxypropanoate is sourced from PubChem (CID 139826833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).