alumane;1-chloropentane;hydrate

C5H16AlClO — CID 173313037

IUPACalumane;1-chloropentane;hydrate
SMILESCCCCCCl.O.[AlH3]
InChIInChI=1S/C5H11Cl.Al.H2O.3H/c1-2-3-4-5-6;;;;;/h2-5H2,1H3;;1H2;;;
InChIKeyIZPJOZYKLZSKQF-UHFFFAOYSA-N
MW154.62 g/mol
LogP0.41
Rot. Bonds3

About alumane;1-chloropentane;hydrate

alumane;1-chloropentane;hydrate (PubChem CID 173313037) has the molecular formula C5H16AlClO and a molecular weight of 154.62 g/mol. Its IUPAC name is alumane;1-chloropentane;hydrate.

Molecular Properties

Compound Namealumane;1-chloropentane;hydrate
PubChem CID173313037
Molecular FormulaC5H16AlClO
Molecular Weight154.62 g/mol
Exact Mass154.07
IUPAC Namealumane;1-chloropentane;hydrate
SMILESCCCCCCl.O.[AlH3]
InChIInChI=1S/C5H11Cl.Al.H2O.3H/c1-2-3-4-5-6;;;;;/h2-5H2,1H3;;1H2;;;
InChIKeyIZPJOZYKLZSKQF-UHFFFAOYSA-N
XLogP0.41
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 50.41
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-chlorononane
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1-chloropentadecane
CID 20996
1-chloropentane;ethane
CID 175284520
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
1-chloropentane;methylphosphane
CID 174465004
CID 87162953
CID 87162953
1-chloropentane;2-methylpropane
CID 174338226
1-chloropentane;cyclooctane
CID 174650189

Frequently Asked Questions

What is the IUPAC name of alumane;1-chloropentane;hydrate?
The IUPAC name of alumane;1-chloropentane;hydrate (CID 173313037) is alumane;1-chloropentane;hydrate.
What is the SMILES notation for alumane;1-chloropentane;hydrate?
The canonical SMILES for alumane;1-chloropentane;hydrate is CCCCCCl.O.[AlH3].
What is the InChIKey of alumane;1-chloropentane;hydrate?
The InChIKey is IZPJOZYKLZSKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.Al.H2O.3H/c1-2-3-4-5-6;;;;;/h2-5H2,1H3;;1H2;;;.
What are the key properties of alumane;1-chloropentane;hydrate?
alumane;1-chloropentane;hydrate has a molecular weight of 154.62 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1-chloropentane;hydrate is sourced from PubChem (CID 173313037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).