5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene

C12H16Cl4 — CID 12580819

IUPAC5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene
SMILESClCC1C2C=CC(C1CCl)C(CCl)C2CCl
InChIInChI=1S/C12H16Cl4/c13-3-9-7-1-2-8(11(9)5-15)12(6-16)10(7)4-14/h1-2,7-12H,3-6H2
InChIKeyBXESXWMKHIKDLA-UHFFFAOYSA-N
MW302.07 g/mol
LogP4.22
Rot. Bonds4

About 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene

5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene (PubChem CID 12580819) has the molecular formula C12H16Cl4 and a molecular weight of 302.07 g/mol. Its IUPAC name is 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene
PubChem CID12580819
Molecular FormulaC12H16Cl4
Molecular Weight302.07 g/mol
Exact Mass300.00
IUPAC Name5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene
SMILESClCC1C2C=CC(C1CCl)C(CCl)C2CCl
InChIInChI=1S/C12H16Cl4/c13-3-9-7-1-2-8(11(9)5-15)12(6-16)10(7)4-14/h1-2,7-12H,3-6H2
InChIKeyBXESXWMKHIKDLA-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 54.22
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 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene?
The IUPAC name of 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene (CID 12580819) is 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene is ClCC1C2C=CC(C1CCl)C(CCl)C2CCl.
What is the InChIKey of 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene?
The InChIKey is BXESXWMKHIKDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl4/c13-3-9-7-1-2-8(11(9)5-15)12(6-16)10(7)4-14/h1-2,7-12H,3-6H2.
What are the key properties of 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene?
5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene has a molecular weight of 302.07 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrakis(chloromethyl)bicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 12580819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).