oxolan-2-one;1,1,2,2-tetrachloroethene

C6H6Cl4O2 — CID 87987931

IUPACoxolan-2-one;1,1,2,2-tetrachloroethene
SMILESClC(Cl)=C(Cl)Cl.O=C1CCCO1
InChIInChI=1S/C4H6O2.C2Cl4/c5-4-2-1-3-6-4;3-1(4)2(5)6/h1-3H2;
InChIKeyYGIURRBTUSJLAU-UHFFFAOYSA-N
MW251.92 g/mol
LogP3.39
Rot. Bonds

About oxolan-2-one;1,1,2,2-tetrachloroethene

oxolan-2-one;1,1,2,2-tetrachloroethene (PubChem CID 87987931) has the molecular formula C6H6Cl4O2 and a molecular weight of 251.92 g/mol. Its IUPAC name is oxolan-2-one;1,1,2,2-tetrachloroethene.

Molecular Properties

Compound Nameoxolan-2-one;1,1,2,2-tetrachloroethene
PubChem CID87987931
Molecular FormulaC6H6Cl4O2
Molecular Weight251.92 g/mol
Exact Mass249.91
IUPAC Nameoxolan-2-one;1,1,2,2-tetrachloroethene
SMILESClC(Cl)=C(Cl)Cl.O=C1CCCO1
InChIInChI=1S/C4H6O2.C2Cl4/c5-4-2-1-3-6-4;3-1(4)2(5)6/h1-3H2;
InChIKeyYGIURRBTUSJLAU-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.92
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-one;1,1,2,2-tetrachloroethene?
The IUPAC name of oxolan-2-one;1,1,2,2-tetrachloroethene (CID 87987931) is oxolan-2-one;1,1,2,2-tetrachloroethene.
What is the SMILES notation for oxolan-2-one;1,1,2,2-tetrachloroethene?
The canonical SMILES for oxolan-2-one;1,1,2,2-tetrachloroethene is ClC(Cl)=C(Cl)Cl.O=C1CCCO1.
What is the InChIKey of oxolan-2-one;1,1,2,2-tetrachloroethene?
The InChIKey is YGIURRBTUSJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2Cl4/c5-4-2-1-3-6-4;3-1(4)2(5)6/h1-3H2;.
What are the key properties of oxolan-2-one;1,1,2,2-tetrachloroethene?
oxolan-2-one;1,1,2,2-tetrachloroethene has a molecular weight of 251.92 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-one;1,1,2,2-tetrachloroethene is sourced from PubChem (CID 87987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).