1,1,1,5-tetrachloropentane

C5H8Cl4 — CID 17175

IUPAC1,1,1,5-tetrachloropentane
SMILESClCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2
InChIKeyVZEWJVRACUZHQR-UHFFFAOYSA-N
MW209.93 g/mol
LogP3.77
Rot. Bonds3

About 1,1,1,5-tetrachloropentane

1,1,1,5-tetrachloropentane (PubChem CID 17175) has the molecular formula C5H8Cl4 and a molecular weight of 209.93 g/mol. Its IUPAC name is 1,1,1,5-tetrachloropentane.

Molecular Properties

Compound Name1,1,1,5-tetrachloropentane
PubChem CID17175
Molecular FormulaC5H8Cl4
Molecular Weight209.93 g/mol
Exact Mass207.94
IUPAC Name1,1,1,5-tetrachloropentane
SMILESClCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2
InChIKeyVZEWJVRACUZHQR-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5-tetrachloropentane?
The IUPAC name of 1,1,1,5-tetrachloropentane (CID 17175) is 1,1,1,5-tetrachloropentane.
What is the SMILES notation for 1,1,1,5-tetrachloropentane?
The canonical SMILES for 1,1,1,5-tetrachloropentane is ClCCCCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,5-tetrachloropentane?
The InChIKey is VZEWJVRACUZHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2.
What are the key properties of 1,1,1,5-tetrachloropentane?
1,1,1,5-tetrachloropentane has a molecular weight of 209.93 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5-tetrachloropentane is sourced from PubChem (CID 17175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).