1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one

C10H6Cl6O — CID 6453222

IUPAC1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
InChIInChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h3,5H,1-2H2
InChIKeyKYHGKEUTZLLLKR-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.43
Rot. Bonds

About 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one

1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 6453222) has the molecular formula C10H6Cl6O and a molecular weight of 354.88 g/mol. Its IUPAC name is 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID6453222
Molecular FormulaC10H6Cl6O
Molecular Weight354.88 g/mol
Exact Mass351.85
IUPAC Name1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
InChIInChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h3,5H,1-2H2
InChIKeyKYHGKEUTZLLLKR-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one (CID 6453222) is 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1CCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl.
What is the InChIKey of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is KYHGKEUTZLLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h3,5H,1-2H2.
What are the key properties of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one?
1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 354.88 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 6453222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).