1-chloropentane;2-methylpropane;hydrobromide

C9H22BrCl — CID 174554463

IUPAC1-chloropentane;2-methylpropane;hydrobromide
SMILESBr.CC(C)C.CCCCCCl
InChIInChI=1S/C5H11Cl.C4H10.BrH/c1-2-3-4-5-6;1-4(2)3;/h2-5H2,1H3;4H,1-3H3;1H
InChIKeyVONKRFAKETWCRY-UHFFFAOYSA-N
MW245.63 g/mol
LogP4.66
Rot. Bonds3

About 1-chloropentane;2-methylpropane;hydrobromide

1-chloropentane;2-methylpropane;hydrobromide (PubChem CID 174554463) has the molecular formula C9H22BrCl and a molecular weight of 245.63 g/mol. Its IUPAC name is 1-chloropentane;2-methylpropane;hydrobromide.

Molecular Properties

Compound Name1-chloropentane;2-methylpropane;hydrobromide
PubChem CID174554463
Molecular FormulaC9H22BrCl
Molecular Weight245.63 g/mol
Exact Mass244.06
IUPAC Name1-chloropentane;2-methylpropane;hydrobromide
SMILESBr.CC(C)C.CCCCCCl
InChIInChI=1S/C5H11Cl.C4H10.BrH/c1-2-3-4-5-6;1-4(2)3;/h2-5H2,1H3;4H,1-3H3;1H
InChIKeyVONKRFAKETWCRY-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 54.66
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

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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
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-methylpropane;hydrobromide?
The IUPAC name of 1-chloropentane;2-methylpropane;hydrobromide (CID 174554463) is 1-chloropentane;2-methylpropane;hydrobromide.
What is the SMILES notation for 1-chloropentane;2-methylpropane;hydrobromide?
The canonical SMILES for 1-chloropentane;2-methylpropane;hydrobromide is Br.CC(C)C.CCCCCCl.
What is the InChIKey of 1-chloropentane;2-methylpropane;hydrobromide?
The InChIKey is VONKRFAKETWCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C4H10.BrH/c1-2-3-4-5-6;1-4(2)3;/h2-5H2,1H3;4H,1-3H3;1H.
What are the key properties of 1-chloropentane;2-methylpropane;hydrobromide?
1-chloropentane;2-methylpropane;hydrobromide has a molecular weight of 245.63 g/mol, XLogP of 4.66, 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;hydrobromide is sourced from PubChem (CID 174554463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).