4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one

C8H10Cl2O2 — CID 5091449

IUPAC4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)CC1C=C(Cl)Cl
InChIInChI=1S/C8H10Cl2O2/c1-8(2)5(3-6(9)10)4-7(11)12-8/h3,5H,4H2,1-2H3
InChIKeyCOKNOMNYGGDKQI-UHFFFAOYSA-N
MW209.07 g/mol
LogP2.65
Rot. Bonds1

About 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one

4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one (PubChem CID 5091449) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one
PubChem CID5091449
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one
SMILESCC1(C)OC(=O)CC1C=C(Cl)Cl
InChIInChI=1S/C8H10Cl2O2/c1-8(2)5(3-6(9)10)4-7(11)12-8/h3,5H,4H2,1-2H3
InChIKeyCOKNOMNYGGDKQI-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one?
The IUPAC name of 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one (CID 5091449) is 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one?
The canonical SMILES for 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one is CC1(C)OC(=O)CC1C=C(Cl)Cl.
What is the InChIKey of 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one?
The InChIKey is COKNOMNYGGDKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c1-8(2)5(3-6(9)10)4-7(11)12-8/h3,5H,4H2,1-2H3.
What are the key properties of 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one?
4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one has a molecular weight of 209.07 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 5091449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).