bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane

C17H39Al2O3P — CID 175312218

IUPACbis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane
SMILESCC(C)(C)[Al+]C(C)(C)C.CC(C)(C)[Al+]C(C)(C)C.CP(=O)([O-])[O-]
InChIInChI=1S/4C4H9.CH5O3P.2Al/c4*1-4(2)3;1-5(2,3)4;;/h4*1-3H3;1H3,(H2,2,3,4);;/q;;;;;2*+1/p-2
InChIKeyGLRPMUASKSKXOK-UHFFFAOYSA-L
MW376.43 g/mol
LogP4.78
Rot. Bonds

About bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane

bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane (PubChem CID 175312218) has the molecular formula C17H39Al2O3P and a molecular weight of 376.43 g/mol. Its IUPAC name is bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namebis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane
PubChem CID175312218
Molecular FormulaC17H39Al2O3P
Molecular Weight376.43 g/mol
Exact Mass376.23
IUPAC Namebis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane
SMILESCC(C)(C)[Al+]C(C)(C)C.CC(C)(C)[Al+]C(C)(C)C.CP(=O)([O-])[O-]
InChIInChI=1S/4C4H9.CH5O3P.2Al/c4*1-4(2)3;1-5(2,3)4;;/h4*1-3H3;1H3,(H2,2,3,4);;/q;;;;;2*+1/p-2
InChIKeyGLRPMUASKSKXOK-UHFFFAOYSA-L
XLogP4.78
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.78
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

calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200
dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
CID 160609044
aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
aluminum tris(ditert-butylphosphinate)
CID 175284123
amino(methyl)phosphinate
CID 18377257
azane;manganese(3+);phosphate
CID 174376080
trilithium;ethene;phosphate
CID 172694198
diazanium;tert-butyl phosphate
CID 121268914
tetrakis(tert-butylazanium);phosphonato phosphate
CID 139755539
silver ditert-butyl phosphate
CID 18428988
lithium ethenyl(methyl)phosphinate
CID 162165650

Frequently Asked Questions

What is the IUPAC name of bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane (CID 175312218) is bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane is CC(C)(C)[Al+]C(C)(C)C.CC(C)(C)[Al+]C(C)(C)C.CP(=O)([O-])[O-].
What is the InChIKey of bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane?
The InChIKey is GLRPMUASKSKXOK-UHFFFAOYSA-L. The full InChI is InChI=1S/4C4H9.CH5O3P.2Al/c4*1-4(2)3;1-5(2,3)4;;/h4*1-3H3;1H3,(H2,2,3,4);;/q;;;;;2*+1/p-2.
What are the key properties of bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane?
bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane has a molecular weight of 376.43 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 175312218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).