1,2-dichloropentane

C5H10Cl2 — CID 15481

IUPAC1,2-dichloropentane
SMILESCCCC(Cl)CCl
InChIInChI=1S/C5H10Cl2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
InChIKeyPPLBPDUKNRCHGG-UHFFFAOYSA-N
MW141.04 g/mol
LogP2.63
Rot. Bonds3

About 1,2-dichloropentane

1,2-dichloropentane (PubChem CID 15481) has the molecular formula C5H10Cl2 and a molecular weight of 141.04 g/mol. Its IUPAC name is 1,2-dichloropentane.

Molecular Properties

Compound Name1,2-dichloropentane
PubChem CID15481
Molecular FormulaC5H10Cl2
Molecular Weight141.04 g/mol
Exact Mass140.02
IUPAC Name1,2-dichloropentane
SMILESCCCC(Cl)CCl
InChIInChI=1S/C5H10Cl2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3
InChIKeyPPLBPDUKNRCHGG-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.04
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloropentane?
The IUPAC name of 1,2-dichloropentane (CID 15481) is 1,2-dichloropentane.
What is the SMILES notation for 1,2-dichloropentane?
The canonical SMILES for 1,2-dichloropentane is CCCC(Cl)CCl.
What is the InChIKey of 1,2-dichloropentane?
The InChIKey is PPLBPDUKNRCHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2/c1-2-3-5(7)4-6/h5H,2-4H2,1H3.
What are the key properties of 1,2-dichloropentane?
1,2-dichloropentane has a molecular weight of 141.04 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloropentane is sourced from PubChem (CID 15481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).