3-chloropentane

C5H11Cl — CID 12016

IUPAC3-chloropentane
SMILESCCC(Cl)CC
InChIInChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKeyCXQSCYIVCSCSES-UHFFFAOYSA-N
MW106.60 g/mol
LogP2.41
Rot. Bonds2

About 3-chloropentane

3-chloropentane (PubChem CID 12016) has the molecular formula C5H11Cl and a molecular weight of 106.60 g/mol. Its IUPAC name is 3-chloropentane.

Molecular Properties

Compound Name3-chloropentane
PubChem CID12016
Molecular FormulaC5H11Cl
Molecular Weight106.60 g/mol
Exact Mass106.05
IUPAC Name3-chloropentane
SMILESCCC(Cl)CC
InChIInChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKeyCXQSCYIVCSCSES-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.60
LogP ≤ 52.41
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-Chloropentane
CID 10977
2-Chlorobutane
CID 6563
2-Chloropentane
CID 12245
1-Chlorohexane
CID 10992
Hexane, 2-chloro-
CID 12521
3-Chlorohexane
CID 33016
1,3-Dichloropentane
CID 520465
2,4-Dichloropentane
CID 12261
1,4-Dichloropentane
CID 221525
(R)-2-chlorobutane
CID 23616278
2-Chlorobutane, (+)-
CID 637146

Frequently Asked Questions

What is the IUPAC name of 3-chloropentane?
The IUPAC name of 3-chloropentane (CID 12016) is 3-chloropentane.
What is the SMILES notation for 3-chloropentane?
The canonical SMILES for 3-chloropentane is CCC(Cl)CC.
What is the InChIKey of 3-chloropentane?
The InChIKey is CXQSCYIVCSCSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-chloropentane?
3-chloropentane has a molecular weight of 106.60 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropentane is sourced from PubChem (CID 12016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).