1,2,3,4,6,10-hexachlorodecane

C10H16Cl6 — CID 88737351

IUPAC1,2,3,4,6,10-hexachlorodecane
SMILESClCCCCC(Cl)CC(Cl)C(Cl)C(Cl)CCl
InChIInChI=1S/C10H16Cl6/c11-4-2-1-3-7(13)5-8(14)10(16)9(15)6-12/h7-10H,1-6H2
InChIKeyMLOZSOBXNYLAPS-UHFFFAOYSA-N
MW348.96 g/mol
LogP5.45
Rot. Bonds9

About 1,2,3,4,6,10-hexachlorodecane

1,2,3,4,6,10-hexachlorodecane (PubChem CID 88737351) has the molecular formula C10H16Cl6 and a molecular weight of 348.96 g/mol. Its IUPAC name is 1,2,3,4,6,10-hexachlorodecane.

Molecular Properties

Compound Name1,2,3,4,6,10-hexachlorodecane
PubChem CID88737351
Molecular FormulaC10H16Cl6
Molecular Weight348.96 g/mol
Exact Mass345.94
IUPAC Name1,2,3,4,6,10-hexachlorodecane
SMILESClCCCCC(Cl)CC(Cl)C(Cl)C(Cl)CCl
InChIInChI=1S/C10H16Cl6/c11-4-2-1-3-7(13)5-8(14)10(16)9(15)6-12/h7-10H,1-6H2
InChIKeyMLOZSOBXNYLAPS-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
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

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CID 90233122
2,6-dichlorohexylphosphane
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1,5-dichlorononane
CID 57182000
(2R,8S)-1,2,8,9-tetrachlorononane
CID 98103574
2,6-dichlorohexyl(methyl)silane
CID 175534769
2,3,9-trichlorononane-1,1-diol
CID 118275866
1,5,6,7,8,9-hexachlorodecane
CID 88737349
CID 87098051
CID 87098051
1,2,3,4-tetrachlorobutane
CID 155672172
2,3,4,18-tetrachlorooctadecanoic acid
CID 118195492
2,6-dichlorohexyl(prop-2-enyl)silane
CID 175326373
1,8-dichloro-2-methyloctane
CID 154320293

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,10-hexachlorodecane?
The IUPAC name of 1,2,3,4,6,10-hexachlorodecane (CID 88737351) is 1,2,3,4,6,10-hexachlorodecane.
What is the SMILES notation for 1,2,3,4,6,10-hexachlorodecane?
The canonical SMILES for 1,2,3,4,6,10-hexachlorodecane is ClCCCCC(Cl)CC(Cl)C(Cl)C(Cl)CCl.
What is the InChIKey of 1,2,3,4,6,10-hexachlorodecane?
The InChIKey is MLOZSOBXNYLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl6/c11-4-2-1-3-7(13)5-8(14)10(16)9(15)6-12/h7-10H,1-6H2.
What are the key properties of 1,2,3,4,6,10-hexachlorodecane?
1,2,3,4,6,10-hexachlorodecane has a molecular weight of 348.96 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,10-hexachlorodecane is sourced from PubChem (CID 88737351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).