ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate

C14H22Cl2O2 — CID 25112880

IUPACethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate
SMILESCCCC1(CCC)C(C=C(Cl)Cl)C1C(=O)OCC
InChIInChI=1S/C14H22Cl2O2/c1-4-7-14(8-5-2)10(9-11(15)16)12(14)13(17)18-6-3/h9-10,12H,4-8H2,1-3H3
InChIKeyXVNKEKNXQGXYGL-UHFFFAOYSA-N
MW293.23 g/mol
LogP4.70
Rot. Bonds7

About ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate

ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate (PubChem CID 25112880) has the molecular formula C14H22Cl2O2 and a molecular weight of 293.23 g/mol. Its IUPAC name is ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate
PubChem CID25112880
Molecular FormulaC14H22Cl2O2
Molecular Weight293.23 g/mol
Exact Mass292.10
IUPAC Nameethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate
SMILESCCCC1(CCC)C(C=C(Cl)Cl)C1C(=O)OCC
InChIInChI=1S/C14H22Cl2O2/c1-4-7-14(8-5-2)10(9-11(15)16)12(14)13(17)18-6-3/h9-10,12H,4-8H2,1-3H3
InChIKeyXVNKEKNXQGXYGL-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(2-chloroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 139939004
ethyl 3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23078061
tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate
CID 139826731
ethyl 3-(2,2-dichloroethenyl)-2-methyl-2-(2-phenylethyl)cyclopropane-1-carboxylate
CID 25112883
trans-ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 719276
trans-ethyl (1R,3S)-3-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 95387021
cis-ethyl (1S,3S)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 94862316
trans-ethyl (1R,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 12881554
sodium;ethyl carbonochloridate;hydroxide
CID 159645066
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate
CID 68747817

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate (CID 25112880) is ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate is CCCC1(CCC)C(C=C(Cl)Cl)C1C(=O)OCC.
What is the InChIKey of ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate?
The InChIKey is XVNKEKNXQGXYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2O2/c1-4-7-14(8-5-2)10(9-11(15)16)12(14)13(17)18-6-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate?
ethyl 3-(2,2-dichloroethenyl)-2,2-dipropylcyclopropane-1-carboxylate has a molecular weight of 293.23 g/mol, XLogP of 4.70, 7 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)-2,2-dipropylcyclopropane-1-carboxylate is sourced from PubChem (CID 25112880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).