2,2-dimethylpropoxy(diphenyl)phosphanium

C17H22OP+ — CID 23415245

IUPAC2,2-dimethylpropoxy(diphenyl)phosphanium
SMILESCC(C)(C)CO[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-17(2,3)14-18-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/p+1
InChIKeyLXGUNQHBHYWEMC-UHFFFAOYSA-O
MW273.34 g/mol
LogP3.83
Rot. Bonds4

About 2,2-dimethylpropoxy(diphenyl)phosphanium

2,2-dimethylpropoxy(diphenyl)phosphanium (PubChem CID 23415245) has the molecular formula C17H22OP+ and a molecular weight of 273.34 g/mol. Its IUPAC name is 2,2-dimethylpropoxy(diphenyl)phosphanium.

Molecular Properties

Compound Name2,2-dimethylpropoxy(diphenyl)phosphanium
PubChem CID23415245
Molecular FormulaC17H22OP+
Molecular Weight273.34 g/mol
Exact Mass273.14
IUPAC Name2,2-dimethylpropoxy(diphenyl)phosphanium
SMILESCC(C)(C)CO[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-17(2,3)14-18-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/p+1
InChIKeyLXGUNQHBHYWEMC-UHFFFAOYSA-O
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropoxy(diphenyl)phosphanium
CID 173227705
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
CID 172995375
CID 172995375
tetrakis(diethyl(phenyl)phosphanium);platinum
CID 88796419
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
[3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium;nickel;sulfanide
CID 6398064
CID 123229942
CID 123229942
[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
dimethyl(phenyl)phosphanium
CID 23415341

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxy(diphenyl)phosphanium?
The IUPAC name of 2,2-dimethylpropoxy(diphenyl)phosphanium (CID 23415245) is 2,2-dimethylpropoxy(diphenyl)phosphanium.
What is the SMILES notation for 2,2-dimethylpropoxy(diphenyl)phosphanium?
The canonical SMILES for 2,2-dimethylpropoxy(diphenyl)phosphanium is CC(C)(C)CO[PH+](c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropoxy(diphenyl)phosphanium?
The InChIKey is LXGUNQHBHYWEMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21OP/c1-17(2,3)14-18-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3/p+1.
What are the key properties of 2,2-dimethylpropoxy(diphenyl)phosphanium?
2,2-dimethylpropoxy(diphenyl)phosphanium has a molecular weight of 273.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxy(diphenyl)phosphanium is sourced from PubChem (CID 23415245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).