1,2,3,4,5,6-hexachlorocyclodecane

C10H14Cl6 — CID 23497888

IUPAC1,2,3,4,5,6-hexachlorocyclodecane
SMILESClC1CCCCC(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C10H14Cl6/c11-5-3-1-2-4-6(12)8(14)10(16)9(15)7(5)13/h5-10H,1-4H2
InChIKeyVZAFQNSGDJLCDO-UHFFFAOYSA-N
MW346.94 g/mol
LogP5.20
Rot. Bonds

About 1,2,3,4,5,6-hexachlorocyclodecane

1,2,3,4,5,6-hexachlorocyclodecane (PubChem CID 23497888) has the molecular formula C10H14Cl6 and a molecular weight of 346.94 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexachlorocyclodecane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexachlorocyclodecane
PubChem CID23497888
Molecular FormulaC10H14Cl6
Molecular Weight346.94 g/mol
Exact Mass343.92
IUPAC Name1,2,3,4,5,6-hexachlorocyclodecane
SMILESClC1CCCCC(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C10H14Cl6/c11-5-3-1-2-4-6(12)8(14)10(16)9(15)7(5)13/h5-10H,1-4H2
InChIKeyVZAFQNSGDJLCDO-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.94
LogP ≤ 55.20
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 1,2,3,4,5,6-hexachlorocyclodecane?
The IUPAC name of 1,2,3,4,5,6-hexachlorocyclodecane (CID 23497888) is 1,2,3,4,5,6-hexachlorocyclodecane.
What is the SMILES notation for 1,2,3,4,5,6-hexachlorocyclodecane?
The canonical SMILES for 1,2,3,4,5,6-hexachlorocyclodecane is ClC1CCCCC(Cl)C(Cl)C(Cl)C(Cl)C1Cl.
What is the InChIKey of 1,2,3,4,5,6-hexachlorocyclodecane?
The InChIKey is VZAFQNSGDJLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl6/c11-5-3-1-2-4-6(12)8(14)10(16)9(15)7(5)13/h5-10H,1-4H2.
What are the key properties of 1,2,3,4,5,6-hexachlorocyclodecane?
1,2,3,4,5,6-hexachlorocyclodecane has a molecular weight of 346.94 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexachlorocyclodecane is sourced from PubChem (CID 23497888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).