1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene

C10H6Cl6 — CID 19519

IUPAC1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESClC1=C(Cl)C2(Cl)C3CC=CC3C1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2
InChIKeyXCJXQCUJXDUNDN-UHFFFAOYSA-N
MW338.88 g/mol
LogP5.02
Rot. Bonds

About 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene

1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 19519) has the molecular formula C10H6Cl6 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID19519
Molecular FormulaC10H6Cl6
Molecular Weight338.88 g/mol
Exact Mass335.86
IUPAC Name1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESClC1=C(Cl)C2(Cl)C3CC=CC3C1(Cl)C2(Cl)Cl
InChIInChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2
InChIKeyXCJXQCUJXDUNDN-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.88
LogP ≤ 55.02
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

Heptachlor
CID 3589
Aldrin
CID 12310947
Isodrin
CID 12310946
gamma-Chlordane
CID 21732
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-dimethanonaphthalene
CID 2087
1,4,5,6,7,8,8-Heptachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
CID 102851
Hexachlorohexahydro-endo, exo-dimethanonaphthalene
CID 222548
4,7-Methanoindene, 1-bromo-4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-
CID 102951
Trichlordene
CID 30724
Dtxcid5022065
CID 60196420
beta-Dihydroheptachlor
CID 12767891
4,7-Methanoindene, 1alpha,2,4beta,5,6,7beta,8,8-octachloro-3aalpha,4,7,7aalpha-tetrahydro-
CID 75124212

Frequently Asked Questions

What is the IUPAC name of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene (CID 19519) is 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene is ClC1=C(Cl)C2(Cl)C3CC=CC3C1(Cl)C2(Cl)Cl.
What is the InChIKey of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is XCJXQCUJXDUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2.
What are the key properties of 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene?
1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 338.88 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 19519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).