3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene

C10H10Cl6 — CID 24835833

IUPAC3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene
SMILESClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C=C2Cl
InChIInChI=1S/C10H10Cl6/c11-3-8(4-12)6-1-10(15,16)9(8,5-13)2-7(6)14/h2,6H,1,3-5H2
InChIKeyRMUJVSTWWPLUIR-UHFFFAOYSA-N
MW342.91 g/mol
LogP5.01
Rot. Bonds3

About 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene

3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 24835833) has the molecular formula C10H10Cl6 and a molecular weight of 342.91 g/mol. Its IUPAC name is 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID24835833
Molecular FormulaC10H10Cl6
Molecular Weight342.91 g/mol
Exact Mass339.89
IUPAC Name3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene
SMILESClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C=C2Cl
InChIInChI=1S/C10H10Cl6/c11-3-8(4-12)6-1-10(15,16)9(8,5-13)2-7(6)14/h2,6H,1,3-5H2
InChIKeyRMUJVSTWWPLUIR-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene (CID 24835833) is 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene is ClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C=C2Cl.
What is the InChIKey of 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is RMUJVSTWWPLUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl6/c11-3-8(4-12)6-1-10(15,16)9(8,5-13)2-7(6)14/h2,6H,1,3-5H2.
What are the key properties of 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene?
3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 342.91 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trichloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 24835833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).