1,1,5,5,6,10-hexachlorodecane

C10H16Cl6 — CID 176514613

IUPAC1,1,5,5,6,10-hexachlorodecane
SMILESClCCCCC(Cl)C(Cl)(Cl)CCCC(Cl)Cl
InChIInChI=1S/C10H16Cl6/c11-7-2-1-4-8(12)10(15,16)6-3-5-9(13)14/h8-9H,1-7H2
InChIKeyXNQBXEMQZHXELD-UHFFFAOYSA-N
MW348.96 g/mol
LogP6.15
Rot. Bonds9

About 1,1,5,5,6,10-hexachlorodecane

1,1,5,5,6,10-hexachlorodecane (PubChem CID 176514613) has the molecular formula C10H16Cl6 and a molecular weight of 348.96 g/mol. Its IUPAC name is 1,1,5,5,6,10-hexachlorodecane.

Molecular Properties

Compound Name1,1,5,5,6,10-hexachlorodecane
PubChem CID176514613
Molecular FormulaC10H16Cl6
Molecular Weight348.96 g/mol
Exact Mass345.94
IUPAC Name1,1,5,5,6,10-hexachlorodecane
SMILESClCCCCC(Cl)C(Cl)(Cl)CCCC(Cl)Cl
InChIInChI=1S/C10H16Cl6/c11-7-2-1-4-8(12)10(15,16)6-3-5-9(13)14/h8-9H,1-7H2
InChIKeyXNQBXEMQZHXELD-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.96
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,10-dichlorodecane-1,1,1-triol
CID 118276052
1,1,6,6-tetrachlorohexane
CID 87407260
CID 87098051
CID 87098051
2,6-dichlorohexyl(methyl)silane
CID 175534769
1,6-dichloro-5,6-dimethylheptane
CID 150904715
2-(5,5-dichloropentyl)propane-1,3-diol
CID 18674567
2,3,9-trichlorononane-1,1-diol
CID 118275866
6-chlorohexane-1,2-diol
CID 87399395
10-chlorodecan-2-ol
CID 139625659
1,1,2,3,7-pentachloroheptane
CID 90233122
(2R)-9-chlorononan-2-ol
CID 139766902
2,6-dichlorohexylphosphane
CID 20570467

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5,6,10-hexachlorodecane?
The IUPAC name of 1,1,5,5,6,10-hexachlorodecane (CID 176514613) is 1,1,5,5,6,10-hexachlorodecane.
What is the SMILES notation for 1,1,5,5,6,10-hexachlorodecane?
The canonical SMILES for 1,1,5,5,6,10-hexachlorodecane is ClCCCCC(Cl)C(Cl)(Cl)CCCC(Cl)Cl.
What is the InChIKey of 1,1,5,5,6,10-hexachlorodecane?
The InChIKey is XNQBXEMQZHXELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl6/c11-7-2-1-4-8(12)10(15,16)6-3-5-9(13)14/h8-9H,1-7H2.
What are the key properties of 1,1,5,5,6,10-hexachlorodecane?
1,1,5,5,6,10-hexachlorodecane has a molecular weight of 348.96 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5,6,10-hexachlorodecane is sourced from PubChem (CID 176514613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).