alumane;1-phosphorosooxypentane

C5H14AlO2P — CID 174749996

IUPACalumane;1-phosphorosooxypentane
SMILESCCCCCOP=O.[AlH3]
InChIInChI=1S/C5H11O2P.Al.3H/c1-2-3-4-5-7-8-6;;;;/h2-5H2,1H3;;;;
InChIKeyFZHPYHMNIDEHPL-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.22
Rot. Bonds5

About alumane;1-phosphorosooxypentane

alumane;1-phosphorosooxypentane (PubChem CID 174749996) has the molecular formula C5H14AlO2P and a molecular weight of 164.12 g/mol. Its IUPAC name is alumane;1-phosphorosooxypentane.

Molecular Properties

Compound Namealumane;1-phosphorosooxypentane
PubChem CID174749996
Molecular FormulaC5H14AlO2P
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Namealumane;1-phosphorosooxypentane
SMILESCCCCCOP=O.[AlH3]
InChIInChI=1S/C5H11O2P.Al.3H/c1-2-3-4-5-7-8-6;;;;/h2-5H2,1H3;;;;
InChIKeyFZHPYHMNIDEHPL-UHFFFAOYSA-N
XLogP1.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phosphorosooxyoctadecane
CID 23002272
sodium;hydride;1-phosphorosooxypentane
CID 173010911
sodium;hydride;1-phosphorosooxyoctane
CID 173400721
1-phosphorosooxybutane;propane
CID 88827784
1-(2-phosphorosooxyethoxy)butane
CID 54124788
dodecan-1-amine;1-phosphorosooxyethane
CID 174517277
hexane;oxomercury
CID 174814256
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
hexane;phosphenous acid
CID 21406649
methane;octyl sulfite
CID 159287523
alumane;tridecyl dihydrogen phosphate
CID 173322009
potassium;hydride;octyl sulfite
CID 174439661

Frequently Asked Questions

What is the IUPAC name of alumane;1-phosphorosooxypentane?
The IUPAC name of alumane;1-phosphorosooxypentane (CID 174749996) is alumane;1-phosphorosooxypentane.
What is the SMILES notation for alumane;1-phosphorosooxypentane?
The canonical SMILES for alumane;1-phosphorosooxypentane is CCCCCOP=O.[AlH3].
What is the InChIKey of alumane;1-phosphorosooxypentane?
The InChIKey is FZHPYHMNIDEHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2P.Al.3H/c1-2-3-4-5-7-8-6;;;;/h2-5H2,1H3;;;;.
What are the key properties of alumane;1-phosphorosooxypentane?
alumane;1-phosphorosooxypentane has a molecular weight of 164.12 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1-phosphorosooxypentane is sourced from PubChem (CID 174749996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).