1,2,3,4-tetrachloropentane

C5H8Cl4 — CID 14572537

IUPAC1,2,3,4-tetrachloropentane
SMILESCC(Cl)C(Cl)C(Cl)CCl
InChIInChI=1S/C5H8Cl4/c1-3(7)5(9)4(8)2-6/h3-5H,2H2,1H3
InChIKeyXBXONZFAAZDIKX-UHFFFAOYSA-N
MW209.93 g/mol
LogP3.07
Rot. Bonds3

About 1,2,3,4-tetrachloropentane

1,2,3,4-tetrachloropentane (PubChem CID 14572537) has the molecular formula C5H8Cl4 and a molecular weight of 209.93 g/mol. Its IUPAC name is 1,2,3,4-tetrachloropentane.

Molecular Properties

Compound Name1,2,3,4-tetrachloropentane
PubChem CID14572537
Molecular FormulaC5H8Cl4
Molecular Weight209.93 g/mol
Exact Mass207.94
IUPAC Name1,2,3,4-tetrachloropentane
SMILESCC(Cl)C(Cl)C(Cl)CCl
InChIInChI=1S/C5H8Cl4/c1-3(7)5(9)4(8)2-6/h3-5H,2H2,1H3
InChIKeyXBXONZFAAZDIKX-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.93
LogP ≤ 53.07
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

1,2,3,4-tetrachlorobutane
CID 155672172
2,3,4-trichlorobutane-1,1-diol
CID 118276207
1,3-dichloro-2-(chloromethyl)butane
CID 87685520
1,2-dichloropropane;titanium
CID 88762967
1,5,6,7,8,9-hexachlorodecane
CID 88737349
7,8-dichloro-2,6-dimethyloct-2-ene
CID 154099751
1,1,3-trichloro-2-methylpropane
CID 23268512
2,3,5,6,8,9,11,12-octachlorotridecane
CID 169186703
(2R,3R)-2,3-dichloropentane
CID 6431009
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1,2,3,4,6,10-hexachlorodecane
CID 88737351
1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane
CID 22211748

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloropentane?
The IUPAC name of 1,2,3,4-tetrachloropentane (CID 14572537) is 1,2,3,4-tetrachloropentane.
What is the SMILES notation for 1,2,3,4-tetrachloropentane?
The canonical SMILES for 1,2,3,4-tetrachloropentane is CC(Cl)C(Cl)C(Cl)CCl.
What is the InChIKey of 1,2,3,4-tetrachloropentane?
The InChIKey is XBXONZFAAZDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl4/c1-3(7)5(9)4(8)2-6/h3-5H,2H2,1H3.
What are the key properties of 1,2,3,4-tetrachloropentane?
1,2,3,4-tetrachloropentane has a molecular weight of 209.93 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloropentane is sourced from PubChem (CID 14572537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).