alumane;hydroxy-oxo-pentoxyphosphanium

C5H15AlO3P+ — CID 175153464

IUPACalumane;hydroxy-oxo-pentoxyphosphanium
SMILESCCCCCO[P+](=O)O.[AlH3]
InChIInChI=1S/C5H11O3P.Al.3H/c1-2-3-4-5-8-9(6)7;;;;/h2-5H2,1H3;;;;/p+1
InChIKeyDALAKVAEKZIFOZ-UHFFFAOYSA-O
MW181.13 g/mol
LogP0.66
Rot. Bonds5

About alumane;hydroxy-oxo-pentoxyphosphanium

alumane;hydroxy-oxo-pentoxyphosphanium (PubChem CID 175153464) has the molecular formula C5H15AlO3P+ and a molecular weight of 181.13 g/mol. Its IUPAC name is alumane;hydroxy-oxo-pentoxyphosphanium.

Molecular Properties

Compound Namealumane;hydroxy-oxo-pentoxyphosphanium
PubChem CID175153464
Molecular FormulaC5H15AlO3P+
Molecular Weight181.13 g/mol
Exact Mass181.06
IUPAC Namealumane;hydroxy-oxo-pentoxyphosphanium
SMILESCCCCCO[P+](=O)O.[AlH3]
InChIInChI=1S/C5H11O3P.Al.3H/c1-2-3-4-5-8-9(6)7;;;;/h2-5H2,1H3;;;;/p+1
InChIKeyDALAKVAEKZIFOZ-UHFFFAOYSA-O
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze alumane;hydroxy-oxo-pentoxyphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
CID 131882023
CID 131882023
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dihexadecoxy(oxo)phosphanium
CID 6336657
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dodecoxy-octoxy-oxophosphanium
CID 154187352
3-ethylsulfinylpropoxy-hydroxy-oxophosphanium
CID 174846346
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104

Frequently Asked Questions

What is the IUPAC name of alumane;hydroxy-oxo-pentoxyphosphanium?
The IUPAC name of alumane;hydroxy-oxo-pentoxyphosphanium (CID 175153464) is alumane;hydroxy-oxo-pentoxyphosphanium.
What is the SMILES notation for alumane;hydroxy-oxo-pentoxyphosphanium?
The canonical SMILES for alumane;hydroxy-oxo-pentoxyphosphanium is CCCCCO[P+](=O)O.[AlH3].
What is the InChIKey of alumane;hydroxy-oxo-pentoxyphosphanium?
The InChIKey is DALAKVAEKZIFOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11O3P.Al.3H/c1-2-3-4-5-8-9(6)7;;;;/h2-5H2,1H3;;;;/p+1.
What are the key properties of alumane;hydroxy-oxo-pentoxyphosphanium?
alumane;hydroxy-oxo-pentoxyphosphanium has a molecular weight of 181.13 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;hydroxy-oxo-pentoxyphosphanium is sourced from PubChem (CID 175153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).