alumane;butyl(propyl)phosphinic acid

C7H20AlO2P — CID 174987333

IUPACalumane;butyl(propyl)phosphinic acid
SMILESCCCCP(=O)(O)CCC.[AlH3]
InChIInChI=1S/C7H17O2P.Al.3H/c1-3-5-7-10(8,9)6-4-2;;;;/h3-7H2,1-2H3,(H,8,9);;;;
InChIKeyOKKKNZYRSDTKLQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.28
Rot. Bonds5

About alumane;butyl(propyl)phosphinic acid

alumane;butyl(propyl)phosphinic acid (PubChem CID 174987333) has the molecular formula C7H20AlO2P and a molecular weight of 194.19 g/mol. Its IUPAC name is alumane;butyl(propyl)phosphinic acid.

Molecular Properties

Compound Namealumane;butyl(propyl)phosphinic acid
PubChem CID174987333
Molecular FormulaC7H20AlO2P
Molecular Weight194.19 g/mol
Exact Mass194.10
IUPAC Namealumane;butyl(propyl)phosphinic acid
SMILESCCCCP(=O)(O)CCC.[AlH3]
InChIInChI=1S/C7H17O2P.Al.3H/c1-3-5-7-10(8,9)6-4-2;;;;/h3-7H2,1-2H3,(H,8,9);;;;
InChIKeyOKKKNZYRSDTKLQ-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440
magnesium;dipropylphosphinic acid;hydride
CID 175497166
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
CID 88803744
butylphosphonic acid;neodymium
CID 134499527
butyl(methyl)phosphinic acid
CID 10909622
CID 172720905
CID 172720905
butyl(2-cyclopentylethyl)phosphinic acid
CID 134348808
potassium;butylphosphonic acid;hydride
CID 174388690

Frequently Asked Questions

What is the IUPAC name of alumane;butyl(propyl)phosphinic acid?
The IUPAC name of alumane;butyl(propyl)phosphinic acid (CID 174987333) is alumane;butyl(propyl)phosphinic acid.
What is the SMILES notation for alumane;butyl(propyl)phosphinic acid?
The canonical SMILES for alumane;butyl(propyl)phosphinic acid is CCCCP(=O)(O)CCC.[AlH3].
What is the InChIKey of alumane;butyl(propyl)phosphinic acid?
The InChIKey is OKKKNZYRSDTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P.Al.3H/c1-3-5-7-10(8,9)6-4-2;;;;/h3-7H2,1-2H3,(H,8,9);;;;.
What are the key properties of alumane;butyl(propyl)phosphinic acid?
alumane;butyl(propyl)phosphinic acid has a molecular weight of 194.19 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;butyl(propyl)phosphinic acid is sourced from PubChem (CID 174987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).