ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate

C7H10Cl2O3 — CID 10987602

IUPACethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate
SMILESCCOC(=O)C1(CC(Cl)Cl)CO1
InChIInChI=1S/C7H10Cl2O3/c1-2-11-6(10)7(4-12-7)3-5(8)9/h5H,2-4H2,1H3
InChIKeyOGWPWYMJVMXWMG-UHFFFAOYSA-N
MW213.06 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate

ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate (PubChem CID 10987602) has the molecular formula C7H10Cl2O3 and a molecular weight of 213.06 g/mol. Its IUPAC name is ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate
PubChem CID10987602
Molecular FormulaC7H10Cl2O3
Molecular Weight213.06 g/mol
Exact Mass212.00
IUPAC Nameethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate
SMILESCCOC(=O)C1(CC(Cl)Cl)CO1
InChIInChI=1S/C7H10Cl2O3/c1-2-11-6(10)7(4-12-7)3-5(8)9/h5H,2-4H2,1H3
InChIKeyOGWPWYMJVMXWMG-UHFFFAOYSA-N
XLogP1.51
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989
ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
CID 10631903
ethyl 2-[2-(2-chlorophenyl)heptyl]oxirane-2-carboxylate
CID 57195527
ethyl 2-ethoxyoxirane-2-carboxylate
CID 123555291
ethyl 2-(4,5-dibromotetradecyl)oxirane-2-carboxylate
CID 22753985
ethyl 2-(6-cyclopropylhexyl)oxirane-2-carboxylate
CID 54536082
ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate
CID 146444920
chloroform;ethyl acetate
CID 22063688
chloroform;ethyl acetate
CID 173213410
chloroform;ethyl acetate
CID 173321498
diethyl 2-[(2-ethoxycarbonyl-3,3-dimethyloxiran-2-yl)methyl]propanedioate
CID 10710500
ethyl 2-[3-(3-chlorophenyl)propyl]oxirane-2-carboxylate
CID 12932111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate?
The IUPAC name of ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate (CID 10987602) is ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate?
The canonical SMILES for ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate is CCOC(=O)C1(CC(Cl)Cl)CO1.
What is the InChIKey of ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate?
The InChIKey is OGWPWYMJVMXWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2O3/c1-2-11-6(10)7(4-12-7)3-5(8)9/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate?
ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate has a molecular weight of 213.06 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate is sourced from PubChem (CID 10987602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).