alumane;2-methoxy-1-phosphorosooxypropane

C4H12AlO3P — CID 175063077

IUPACalumane;2-methoxy-1-phosphorosooxypropane
SMILESCOC(C)COP=O.[AlH3]
InChIInChI=1S/C4H9O3P.Al.3H/c1-4(6-2)3-7-8-5;;;;/h4H,3H2,1-2H3;;;;
InChIKeyYMUFYGGXXOLIAX-UHFFFAOYSA-N
MW166.09 g/mol
LogP0.06
Rot. Bonds4

About alumane;2-methoxy-1-phosphorosooxypropane

alumane;2-methoxy-1-phosphorosooxypropane (PubChem CID 175063077) has the molecular formula C4H12AlO3P and a molecular weight of 166.09 g/mol. Its IUPAC name is alumane;2-methoxy-1-phosphorosooxypropane.

Molecular Properties

Compound Namealumane;2-methoxy-1-phosphorosooxypropane
PubChem CID175063077
Molecular FormulaC4H12AlO3P
Molecular Weight166.09 g/mol
Exact Mass166.03
IUPAC Namealumane;2-methoxy-1-phosphorosooxypropane
SMILESCOC(C)COP=O.[AlH3]
InChIInChI=1S/C4H9O3P.Al.3H/c1-4(6-2)3-7-8-5;;;;/h4H,3H2,1-2H3;;;;
InChIKeyYMUFYGGXXOLIAX-UHFFFAOYSA-N
XLogP0.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-phosphorosooxypropane
CID 14904535
1-fluoro-2-methyl-3-phosphorosooxypropane
CID 135365502
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
3-methyl-1-phosphorosooxybutane;tris(yttrium)
CID 59595514
tris(2-methoxypropyl) phosphate
CID 88697262
1,3-diphosphorosooxypropan-2-ol
CID 57292886
acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083

Frequently Asked Questions

What is the IUPAC name of alumane;2-methoxy-1-phosphorosooxypropane?
The IUPAC name of alumane;2-methoxy-1-phosphorosooxypropane (CID 175063077) is alumane;2-methoxy-1-phosphorosooxypropane.
What is the SMILES notation for alumane;2-methoxy-1-phosphorosooxypropane?
The canonical SMILES for alumane;2-methoxy-1-phosphorosooxypropane is COC(C)COP=O.[AlH3].
What is the InChIKey of alumane;2-methoxy-1-phosphorosooxypropane?
The InChIKey is YMUFYGGXXOLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P.Al.3H/c1-4(6-2)3-7-8-5;;;;/h4H,3H2,1-2H3;;;;.
What are the key properties of alumane;2-methoxy-1-phosphorosooxypropane?
alumane;2-methoxy-1-phosphorosooxypropane has a molecular weight of 166.09 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-methoxy-1-phosphorosooxypropane is sourced from PubChem (CID 175063077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).