1,1,1,2,2,3,4,5,5,5-decachloropentane

C5H2Cl10 — CID 22027028

IUPAC1,1,1,2,2,3,4,5,5,5-decachloropentane
SMILESClC(C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5H2Cl10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H
InChIKeyBCFNCPFDOWQWDP-UHFFFAOYSA-N
MW416.60 g/mol
LogP6.12
Rot. Bonds2

About 1,1,1,2,2,3,4,5,5,5-decachloropentane

1,1,1,2,2,3,4,5,5,5-decachloropentane (PubChem CID 22027028) has the molecular formula C5H2Cl10 and a molecular weight of 416.60 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5,5-decachloropentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5,5-decachloropentane
PubChem CID22027028
Molecular FormulaC5H2Cl10
Molecular Weight416.60 g/mol
Exact Mass411.70
IUPAC Name1,1,1,2,2,3,4,5,5,5-decachloropentane
SMILESClC(C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5H2Cl10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H
InChIKeyBCFNCPFDOWQWDP-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 56.12
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

1,1,1,2,3-pentachlorobutane
CID 13215584
1,1,1,2-tetrachloropropane
CID 87557158
1,1,1,2,2,3-hexachlorohexane
CID 22151176
1,1,2,2,3,4,5,5,6,6-decachlorohexane
CID 119097624
2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
CID 18915995
potassium;hydride;1,1,1,2,2-pentachloroethane;sulfuric acid
CID 175274318
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,2,2,3,3,4,4,5,5,6,6,6-dodecachlorohexan-1-ol
CID 87603621
1,1,1,3-tetrachloro-2,3-difluoropropane
CID 163360426
1,1,1,2,2,2-hexachloroethane;tetrachloromethane
CID 87168985
potassium;tetrachloromethane;hydroxide
CID 159473553
acetylene;tetrachloromethane
CID 19386607

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5,5-decachloropentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5,5-decachloropentane (CID 22027028) is 1,1,1,2,2,3,4,5,5,5-decachloropentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5,5-decachloropentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5,5-decachloropentane is ClC(C(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,2,3,4,5,5,5-decachloropentane?
The InChIKey is BCFNCPFDOWQWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H.
What are the key properties of 1,1,1,2,2,3,4,5,5,5-decachloropentane?
1,1,1,2,2,3,4,5,5,5-decachloropentane has a molecular weight of 416.60 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5,5-decachloropentane is sourced from PubChem (CID 22027028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).