ethyl 2,2-dichlorocyclopropane-1-carboxylate

C6H8Cl2O2 — CID 15652392

IUPACethyl 2,2-dichlorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C6H8Cl2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyBNSVECUNFVIJDD-UHFFFAOYSA-N
MW183.03 g/mol
LogP1.74
Rot. Bonds2

About ethyl 2,2-dichlorocyclopropane-1-carboxylate

ethyl 2,2-dichlorocyclopropane-1-carboxylate (PubChem CID 15652392) has the molecular formula C6H8Cl2O2 and a molecular weight of 183.03 g/mol. Its IUPAC name is ethyl 2,2-dichlorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dichlorocyclopropane-1-carboxylate
PubChem CID15652392
Molecular FormulaC6H8Cl2O2
Molecular Weight183.03 g/mol
Exact Mass181.99
IUPAC Nameethyl 2,2-dichlorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C6H8Cl2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyBNSVECUNFVIJDD-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.03
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dichlorocyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dichlorocyclopropane-1-carboxylate (CID 15652392) is ethyl 2,2-dichlorocyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dichlorocyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dichlorocyclopropane-1-carboxylate is CCOC(=O)C1CC1(Cl)Cl.
What is the InChIKey of ethyl 2,2-dichlorocyclopropane-1-carboxylate?
The InChIKey is BNSVECUNFVIJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3.
What are the key properties of ethyl 2,2-dichlorocyclopropane-1-carboxylate?
ethyl 2,2-dichlorocyclopropane-1-carboxylate has a molecular weight of 183.03 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dichlorocyclopropane-1-carboxylate is sourced from PubChem (CID 15652392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).