1,1-dichloroethene;ethene

C4H6Cl2 — CID 23453294

IUPAC1,1-dichloroethene;ethene
SMILESC=C.C=C(Cl)Cl
InChIInChI=1S/C2H2Cl2.C2H4/c1-2(3)4;1-2/h1H2;1-2H2
InChIKeyDAKDHGSTFGTDCB-UHFFFAOYSA-N
MW125.00 g/mol
LogP2.74
Rot. Bonds

About 1,1-dichloroethene;ethene

1,1-dichloroethene;ethene (PubChem CID 23453294) has the molecular formula C4H6Cl2 and a molecular weight of 125.00 g/mol. Its IUPAC name is 1,1-dichloroethene;ethene.

Molecular Properties

Compound Name1,1-dichloroethene;ethene
PubChem CID23453294
Molecular FormulaC4H6Cl2
Molecular Weight125.00 g/mol
Exact Mass123.98
IUPAC Name1,1-dichloroethene;ethene
SMILESC=C.C=C(Cl)Cl
InChIInChI=1S/C2H2Cl2.C2H4/c1-2(3)4;1-2/h1H2;1-2H2
InChIKeyDAKDHGSTFGTDCB-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.00
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethene;ethene?
The IUPAC name of 1,1-dichloroethene;ethene (CID 23453294) is 1,1-dichloroethene;ethene.
What is the SMILES notation for 1,1-dichloroethene;ethene?
The canonical SMILES for 1,1-dichloroethene;ethene is C=C.C=C(Cl)Cl.
What is the InChIKey of 1,1-dichloroethene;ethene?
The InChIKey is DAKDHGSTFGTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2.C2H4/c1-2(3)4;1-2/h1H2;1-2H2.
What are the key properties of 1,1-dichloroethene;ethene?
1,1-dichloroethene;ethene has a molecular weight of 125.00 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethene;ethene is sourced from PubChem (CID 23453294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).