1,1,5-trichloropentane

C5H9Cl3 — CID 12541128

IUPAC1,1,5-trichloropentane
SMILESClCCCCC(Cl)Cl
InChIInChI=1S/C5H9Cl3/c6-4-2-1-3-5(7)8/h5H,1-4H2
InChIKeyPFKLDGNDUZQYMM-UHFFFAOYSA-N
MW175.49 g/mol
LogP3.20
Rot. Bonds4

About 1,1,5-trichloropentane

1,1,5-trichloropentane (PubChem CID 12541128) has the molecular formula C5H9Cl3 and a molecular weight of 175.49 g/mol. Its IUPAC name is 1,1,5-trichloropentane.

Molecular Properties

Compound Name1,1,5-trichloropentane
PubChem CID12541128
Molecular FormulaC5H9Cl3
Molecular Weight175.49 g/mol
Exact Mass173.98
IUPAC Name1,1,5-trichloropentane
SMILESClCCCCC(Cl)Cl
InChIInChI=1S/C5H9Cl3/c6-4-2-1-3-5(7)8/h5H,1-4H2
InChIKeyPFKLDGNDUZQYMM-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.49
LogP ≤ 53.20
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 1,1,5-trichloropentane?
The IUPAC name of 1,1,5-trichloropentane (CID 12541128) is 1,1,5-trichloropentane.
What is the SMILES notation for 1,1,5-trichloropentane?
The canonical SMILES for 1,1,5-trichloropentane is ClCCCCC(Cl)Cl.
What is the InChIKey of 1,1,5-trichloropentane?
The InChIKey is PFKLDGNDUZQYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl3/c6-4-2-1-3-5(7)8/h5H,1-4H2.
What are the key properties of 1,1,5-trichloropentane?
1,1,5-trichloropentane has a molecular weight of 175.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trichloropentane is sourced from PubChem (CID 12541128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).