2,4-dichloropentane

C5H10Cl2 — CID 12261

IUPAC2,4-dichloropentane
SMILESCC(Cl)CC(C)Cl
InChIInChI=1S/C5H10Cl2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3
InChIKeyDYGOBGYJRRKFEN-UHFFFAOYSA-N
MW141.04 g/mol
LogP2.63
Rot. Bonds2

About 2,4-dichloropentane

2,4-dichloropentane (PubChem CID 12261) has the molecular formula C5H10Cl2 and a molecular weight of 141.04 g/mol. Its IUPAC name is 2,4-dichloropentane.

Molecular Properties

Compound Name2,4-dichloropentane
PubChem CID12261
Molecular FormulaC5H10Cl2
Molecular Weight141.04 g/mol
Exact Mass140.02
IUPAC Name2,4-dichloropentane
SMILESCC(Cl)CC(C)Cl
InChIInChI=1S/C5H10Cl2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3
InChIKeyDYGOBGYJRRKFEN-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

Butyl Chloride
CID 8005
1,2-Dichlorobutane
CID 12017
1-Chloropentane
CID 10977
1,4-Dichlorobutane
CID 8059
1,5-Dichloropentane
CID 12353
1,6-Dichlorohexane
CID 16551
2-Chloropentane
CID 12245
1,3-Dichlorobutane
CID 14480
1,1-Dichlorobutane
CID 10926
1-Chlorohexane
CID 10992
3-Chloropentane
CID 12016
1-Chloroheptane
CID 12371

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloropentane?
The IUPAC name of 2,4-dichloropentane (CID 12261) is 2,4-dichloropentane.
What is the SMILES notation for 2,4-dichloropentane?
The canonical SMILES for 2,4-dichloropentane is CC(Cl)CC(C)Cl.
What is the InChIKey of 2,4-dichloropentane?
The InChIKey is DYGOBGYJRRKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3.
What are the key properties of 2,4-dichloropentane?
2,4-dichloropentane has a molecular weight of 141.04 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloropentane is sourced from PubChem (CID 12261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).