1,1,1,3-tetrachloropentane

C5H8Cl4 — CID 13227610

IUPAC1,1,1,3-tetrachloropentane
SMILESCCC(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl4/c1-2-4(6)3-5(7,8)9/h4H,2-3H2,1H3
InChIKeyBWQCTTJXTNBYSJ-UHFFFAOYSA-N
MW209.93 g/mol
LogP3.76
Rot. Bonds2

About 1,1,1,3-tetrachloropentane

1,1,1,3-tetrachloropentane (PubChem CID 13227610) has the molecular formula C5H8Cl4 and a molecular weight of 209.93 g/mol. Its IUPAC name is 1,1,1,3-tetrachloropentane.

Molecular Properties

Compound Name1,1,1,3-tetrachloropentane
PubChem CID13227610
Molecular FormulaC5H8Cl4
Molecular Weight209.93 g/mol
Exact Mass207.94
IUPAC Name1,1,1,3-tetrachloropentane
SMILESCCC(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl4/c1-2-4(6)3-5(7,8)9/h4H,2-3H2,1H3
InChIKeyBWQCTTJXTNBYSJ-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.93
LogP ≤ 53.76
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

2,4-dichloro-2-methylhexane
CID 15570353
3-chloro-2,2-dimethylpentane
CID 13351497
3-bromo-1,1,1-trichloropentane
CID 119096269
3,5,7,9-tetrachloroundecane
CID 20749072
1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
CID 18956861
3,5,7-trichlorononane
CID 86070462
(6-chloro-4-propyloctan-4-yl)oxysilane
CID 175576062
(2R)-1-bromo-2-chlorobutane
CID 57480694
1,1,1,3,9,10-hexachlorodecane
CID 53421412
1,1,1-trichloro-3-methylhexane
CID 23264412
dichloro-methyl-(1,3,3,3-tetrachloropropyl)silane
CID 12527128
5-chloro-2,2-dimethylheptane
CID 64506638

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrachloropentane?
The IUPAC name of 1,1,1,3-tetrachloropentane (CID 13227610) is 1,1,1,3-tetrachloropentane.
What is the SMILES notation for 1,1,1,3-tetrachloropentane?
The canonical SMILES for 1,1,1,3-tetrachloropentane is CCC(Cl)CC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,3-tetrachloropentane?
The InChIKey is BWQCTTJXTNBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl4/c1-2-4(6)3-5(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 1,1,1,3-tetrachloropentane?
1,1,1,3-tetrachloropentane has a molecular weight of 209.93 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrachloropentane is sourced from PubChem (CID 13227610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).