2,3,4,6,7,8-hexachlorodecane

C10H16Cl6 — CID 22833489

IUPAC2,3,4,6,7,8-hexachlorodecane
SMILESCCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl
InChIInChI=1S/C10H16Cl6/c1-3-6(12)10(16)8(14)4-7(13)9(15)5(2)11/h5-10H,3-4H2,1-2H3
InChIKeyZPSFPNSXYWWGRF-UHFFFAOYSA-N
MW348.96 g/mol
LogP5.45
Rot. Bonds7

About 2,3,4,6,7,8-hexachlorodecane

2,3,4,6,7,8-hexachlorodecane (PubChem CID 22833489) has the molecular formula C10H16Cl6 and a molecular weight of 348.96 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexachlorodecane.

Molecular Properties

Compound Name2,3,4,6,7,8-hexachlorodecane
PubChem CID22833489
Molecular FormulaC10H16Cl6
Molecular Weight348.96 g/mol
Exact Mass345.94
IUPAC Name2,3,4,6,7,8-hexachlorodecane
SMILESCCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl
InChIInChI=1S/C10H16Cl6/c1-3-6(12)10(16)8(14)4-7(13)9(15)5(2)11/h5-10H,3-4H2,1-2H3
InChIKeyZPSFPNSXYWWGRF-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.96
LogP ≤ 55.45
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 2,3,4,6,7,8-hexachlorodecane?
The IUPAC name of 2,3,4,6,7,8-hexachlorodecane (CID 22833489) is 2,3,4,6,7,8-hexachlorodecane.
What is the SMILES notation for 2,3,4,6,7,8-hexachlorodecane?
The canonical SMILES for 2,3,4,6,7,8-hexachlorodecane is CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl.
What is the InChIKey of 2,3,4,6,7,8-hexachlorodecane?
The InChIKey is ZPSFPNSXYWWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl6/c1-3-6(12)10(16)8(14)4-7(13)9(15)5(2)11/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,3,4,6,7,8-hexachlorodecane?
2,3,4,6,7,8-hexachlorodecane has a molecular weight of 348.96 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexachlorodecane is sourced from PubChem (CID 22833489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).