ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate

C17H20Cl2O2 — CID 25112883

IUPACethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C=C(Cl)Cl)C1(C)CCc1ccccc1
InChIInChI=1S/C17H20Cl2O2/c1-3-21-16(20)15-13(11-14(18)19)17(15,2)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3
InChIKeyFZCKHFJJDYRLFT-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.75
Rot. Bonds6

About ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate

ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate (PubChem CID 25112883) has the molecular formula C17H20Cl2O2 and a molecular weight of 327.25 g/mol. Its IUPAC name is ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate
PubChem CID25112883
Molecular FormulaC17H20Cl2O2
Molecular Weight327.25 g/mol
Exact Mass326.08
IUPAC Nameethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C=C(Cl)Cl)C1(C)CCc1ccccc1
InChIInChI=1S/C17H20Cl2O2/c1-3-21-16(20)15-13(11-14(18)19)17(15,2)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3
InChIKeyFZCKHFJJDYRLFT-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate (CID 25112883) is ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate is CCOC(=O)C1C(C=C(Cl)Cl)C1(C)CCc1ccccc1.
What is the InChIKey of ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate?
The InChIKey is FZCKHFJJDYRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2O2/c1-3-21-16(20)15-13(11-14(18)19)17(15,2)10-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate?
ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate has a molecular weight of 327.25 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 25112883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).