1-chloropentane;2-methylpropane

C9H21Cl — CID 174338226

IUPAC1-chloropentane;2-methylpropane
SMILESCC(C)C.CCCCCCl
InChIInChI=1S/C5H11Cl.C4H10/c1-2-3-4-5-6;1-4(2)3/h2-5H2,1H3;4H,1-3H3
InChIKeyQXICEKZVVFOODN-UHFFFAOYSA-N
MW164.72 g/mol
LogP4.08
Rot. Bonds3

About 1-chloropentane;2-methylpropane

1-chloropentane;2-methylpropane (PubChem CID 174338226) has the molecular formula C9H21Cl and a molecular weight of 164.72 g/mol. Its IUPAC name is 1-chloropentane;2-methylpropane.

Molecular Properties

Compound Name1-chloropentane;2-methylpropane
PubChem CID174338226
Molecular FormulaC9H21Cl
Molecular Weight164.72 g/mol
Exact Mass164.13
IUPAC Name1-chloropentane;2-methylpropane
SMILESCC(C)C.CCCCCCl
InChIInChI=1S/C5H11Cl.C4H10/c1-2-3-4-5-6;1-4(2)3/h2-5H2,1H3;4H,1-3H3
InChIKeyQXICEKZVVFOODN-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.72
LogP ≤ 54.08
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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Related Compounds

1-chloropentane;2-methylpropane;hydrobromide
CID 174554463
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
1-chloropentane;zirconium;octahydrate
CID 175544911
alumane;1-chloropentane;hydrate
CID 173313037
1-chloropentane;methylphosphane
CID 174465004
1-chloropentane;2-methylpropan-1-amine;hydrochloride
CID 174765566

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-methylpropane?
The IUPAC name of 1-chloropentane;2-methylpropane (CID 174338226) is 1-chloropentane;2-methylpropane.
What is the SMILES notation for 1-chloropentane;2-methylpropane?
The canonical SMILES for 1-chloropentane;2-methylpropane is CC(C)C.CCCCCCl.
What is the InChIKey of 1-chloropentane;2-methylpropane?
The InChIKey is QXICEKZVVFOODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C4H10/c1-2-3-4-5-6;1-4(2)3/h2-5H2,1H3;4H,1-3H3.
What are the key properties of 1-chloropentane;2-methylpropane?
1-chloropentane;2-methylpropane has a molecular weight of 164.72 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-methylpropane is sourced from PubChem (CID 174338226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).