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

C6H4Cl10 — CID 119097624

IUPAC1,1,2,2,3,4,5,5,6,6-decachlorohexane
SMILESClC(Cl)C(Cl)(Cl)C(Cl)C(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C6H4Cl10/c7-1(5(13,14)3(9)10)2(8)6(15,16)4(11)12/h1-4H
InChIKeyUNUKVYSMFWDRHZ-UHFFFAOYSA-N
MW430.63 g/mol
LogP6.16
Rot. Bonds5

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

1,1,2,2,3,4,5,5,6,6-decachlorohexane (PubChem CID 119097624) has the molecular formula C6H4Cl10 and a molecular weight of 430.63 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,5,6,6-decachlorohexane.

Molecular Properties

Compound Name1,1,2,2,3,4,5,5,6,6-decachlorohexane
PubChem CID119097624
Molecular FormulaC6H4Cl10
Molecular Weight430.63 g/mol
Exact Mass425.72
IUPAC Name1,1,2,2,3,4,5,5,6,6-decachlorohexane
SMILESClC(Cl)C(Cl)(Cl)C(Cl)C(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C6H4Cl10/c7-1(5(13,14)3(9)10)2(8)6(15,16)4(11)12/h1-4H
InChIKeyUNUKVYSMFWDRHZ-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,1,2,2-tetrachloroethanethiol
CID 57290267
1,1,2,2-tetrachloroethanol
CID 18356623
1,1,2,2-tetrachlorohexan-3-ol
CID 71360035
1,1,1,2,3-pentachlorobutane
CID 13215584
1,1,1,2,2,3,4,5,5,5-decachloropentane
CID 22027028
1,1,1,2-tetrachloropropane
CID 87557158
1,1,2-trichloroethane-1,2-dithiol
CID 149434978
1,1,3,4,4,5,6,6-octachlorohex-1-ene
CID 154425891
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
CID 118356908
CID 118356908

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,5,6,6-decachlorohexane?
The IUPAC name of 1,1,2,2,3,4,5,5,6,6-decachlorohexane (CID 119097624) is 1,1,2,2,3,4,5,5,6,6-decachlorohexane.
What is the SMILES notation for 1,1,2,2,3,4,5,5,6,6-decachlorohexane?
The canonical SMILES for 1,1,2,2,3,4,5,5,6,6-decachlorohexane is ClC(Cl)C(Cl)(Cl)C(Cl)C(Cl)C(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2,3,4,5,5,6,6-decachlorohexane?
The InChIKey is UNUKVYSMFWDRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl10/c7-1(5(13,14)3(9)10)2(8)6(15,16)4(11)12/h1-4H.
What are the key properties of 1,1,2,2,3,4,5,5,6,6-decachlorohexane?
1,1,2,2,3,4,5,5,6,6-decachlorohexane has a molecular weight of 430.63 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,5,6,6-decachlorohexane is sourced from PubChem (CID 119097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).