5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene

C10H8Cl4 — CID 595695

IUPAC5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene
SMILESClC1(Cl)C2C=CC3C(C=CC21)C3(Cl)Cl
InChIInChI=1S/C10H8Cl4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h1-8H
InChIKeyCIYBYUOLVCCXCO-UHFFFAOYSA-N
MW269.99 g/mol
LogP3.95
Rot. Bonds

About 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene

5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene (PubChem CID 595695) has the molecular formula C10H8Cl4 and a molecular weight of 269.99 g/mol. Its IUPAC name is 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene.

Molecular Properties

Compound Name5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene
PubChem CID595695
Molecular FormulaC10H8Cl4
Molecular Weight269.99 g/mol
Exact Mass267.94
IUPAC Name5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene
SMILESClC1(Cl)C2C=CC3C(C=CC21)C3(Cl)Cl
InChIInChI=1S/C10H8Cl4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h1-8H
InChIKeyCIYBYUOLVCCXCO-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 53.95
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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Related Compounds

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CID 98051205
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CID 117063826
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CID 129431343
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CID 12727187
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CID 174738609
1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene;phosphoric acid
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3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
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CID 12536814

Frequently Asked Questions

What is the IUPAC name of 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene?
The IUPAC name of 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene (CID 595695) is 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene.
What is the SMILES notation for 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene?
The canonical SMILES for 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene is ClC1(Cl)C2C=CC3C(C=CC21)C3(Cl)Cl.
What is the InChIKey of 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene?
The InChIKey is CIYBYUOLVCCXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h1-8H.
What are the key properties of 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene?
5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene has a molecular weight of 269.99 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,10,10-tetrachlorotricyclo[7.1.0.04,6]deca-2,7-diene is sourced from PubChem (CID 595695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).