1,5,6,7,8,9-hexachlorodecane

C10H16Cl6 — CID 88737349

IUPAC1,5,6,7,8,9-hexachlorodecane
SMILESCC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCCCCl
InChIInChI=1S/C10H16Cl6/c1-6(12)8(14)10(16)9(15)7(13)4-2-3-5-11/h6-10H,2-5H2,1H3
InChIKeyDEVJDMOIVSHVGT-UHFFFAOYSA-N
MW348.96 g/mol
LogP5.45
Rot. Bonds8

About 1,5,6,7,8,9-hexachlorodecane

1,5,6,7,8,9-hexachlorodecane (PubChem CID 88737349) has the molecular formula C10H16Cl6 and a molecular weight of 348.96 g/mol. Its IUPAC name is 1,5,6,7,8,9-hexachlorodecane.

Molecular Properties

Compound Name1,5,6,7,8,9-hexachlorodecane
PubChem CID88737349
Molecular FormulaC10H16Cl6
Molecular Weight348.96 g/mol
Exact Mass345.94
IUPAC Name1,5,6,7,8,9-hexachlorodecane
SMILESCC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCCCCl
InChIInChI=1S/C10H16Cl6/c1-6(12)8(14)10(16)9(15)7(13)4-2-3-5-11/h6-10H,2-5H2,1H3
InChIKeyDEVJDMOIVSHVGT-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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

1,1,2,3,7-pentachloroheptane
CID 90233122
2,3,9-trichlorononane-1,1-diol
CID 118275866
3,4,18-trichloro-2-methyloctadecanoic acid
CID 87906411
(8R,9S,10S,11R,12S,13R)-8,9,10,12,13-pentachlorotetradecane-1,11-diol
CID 134942256
2,3,4,18-tetrachlorooctadecanoic acid
CID 118195492
3,6-dichlorohexan-2-ylsilane
CID 173228280
trimethoxy-(2,3,8-trichloro-1-fluorooctyl)silane
CID 175038963
1,7-dichloro-3-methylheptane
CID 175072872
1,2,3,4-tetrachloropentane
CID 14572537
(3S)-7-chloro-3-methylheptan-2-one
CID 141061105
(2R)-9-chlorononan-2-ol
CID 139766902
1,8-dichloro-2-methyloctane
CID 154320293

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7,8,9-hexachlorodecane?
The IUPAC name of 1,5,6,7,8,9-hexachlorodecane (CID 88737349) is 1,5,6,7,8,9-hexachlorodecane.
What is the SMILES notation for 1,5,6,7,8,9-hexachlorodecane?
The canonical SMILES for 1,5,6,7,8,9-hexachlorodecane is CC(Cl)C(Cl)C(Cl)C(Cl)C(Cl)CCCCCl.
What is the InChIKey of 1,5,6,7,8,9-hexachlorodecane?
The InChIKey is DEVJDMOIVSHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl6/c1-6(12)8(14)10(16)9(15)7(13)4-2-3-5-11/h6-10H,2-5H2,1H3.
What are the key properties of 1,5,6,7,8,9-hexachlorodecane?
1,5,6,7,8,9-hexachlorodecane has a molecular weight of 348.96 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7,8,9-hexachlorodecane is sourced from PubChem (CID 88737349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).