1-chloropentane

C5H11Cl — CID 10977

IUPAC1-chloropentane
SMILESCCCCCCl
InChIInChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeySQCZQTSHSZLZIQ-UHFFFAOYSA-N
MW106.60 g/mol
LogP2.42
Rot. Bonds3

About 1-chloropentane

1-chloropentane (PubChem CID 10977) has the molecular formula C5H11Cl and a molecular weight of 106.60 g/mol. Its IUPAC name is 1-chloropentane.

Molecular Properties

Compound Name1-chloropentane
PubChem CID10977
Molecular FormulaC5H11Cl
Molecular Weight106.60 g/mol
Exact Mass106.05
IUPAC Name1-chloropentane
SMILESCCCCCCl
InChIInChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeySQCZQTSHSZLZIQ-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.60
LogP ≤ 52.42
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-chloropentane?
The IUPAC name of 1-chloropentane (CID 10977) is 1-chloropentane.
What is the SMILES notation for 1-chloropentane?
The canonical SMILES for 1-chloropentane is CCCCCCl.
What is the InChIKey of 1-chloropentane?
The InChIKey is SQCZQTSHSZLZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3.
What are the key properties of 1-chloropentane?
1-chloropentane has a molecular weight of 106.60 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane is sourced from PubChem (CID 10977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).