1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane

C6H6Cl4 — CID 54152316

IUPAC1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane
SMILESCC(C)=C1C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C6H6Cl4/c1-3(2)4-5(7,8)6(4,9)10/h1-2H3
InChIKeyOIPAIVJYYFXAJO-UHFFFAOYSA-N
MW219.93 g/mol
LogP3.68
Rot. Bonds

About 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane

1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane (PubChem CID 54152316) has the molecular formula C6H6Cl4 and a molecular weight of 219.93 g/mol. Its IUPAC name is 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane
PubChem CID54152316
Molecular FormulaC6H6Cl4
Molecular Weight219.93 g/mol
Exact Mass217.92
IUPAC Name1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane
SMILESCC(C)=C1C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C6H6Cl4/c1-3(2)4-5(7,8)6(4,9)10/h1-2H3
InChIKeyOIPAIVJYYFXAJO-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.93
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane?
The IUPAC name of 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane (CID 54152316) is 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane?
The canonical SMILES for 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane is CC(C)=C1C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane?
The InChIKey is OIPAIVJYYFXAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4/c1-3(2)4-5(7,8)6(4,9)10/h1-2H3.
What are the key properties of 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane?
1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane has a molecular weight of 219.93 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachloro-3-propan-2-ylidenecyclopropane is sourced from PubChem (CID 54152316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).