3,3-dimethoxypropyl(triphenyl)phosphanium

C23H26O2P+ — CID 10621039

IUPAC3,3-dimethoxypropyl(triphenyl)phosphanium
SMILESCOC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C23H26O2P/c1-24-23(25-2)18-19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3/q+1
InChIKeyHSWIADQNEDOVGD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.99
Rot. Bonds8

About 3,3-dimethoxypropyl(triphenyl)phosphanium

3,3-dimethoxypropyl(triphenyl)phosphanium (PubChem CID 10621039) has the molecular formula C23H26O2P+ and a molecular weight of 365.43 g/mol. Its IUPAC name is 3,3-dimethoxypropyl(triphenyl)phosphanium.

Molecular Properties

Compound Name3,3-dimethoxypropyl(triphenyl)phosphanium
PubChem CID10621039
Molecular FormulaC23H26O2P+
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3,3-dimethoxypropyl(triphenyl)phosphanium
SMILESCOC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C23H26O2P/c1-24-23(25-2)18-19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3/q+1
InChIKeyHSWIADQNEDOVGD-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
5-methoxyheptyl(triphenyl)phosphanium
CID 86248653
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
methoxymethyl(triphenyl)phosphanium;hydrate
CID 87989481
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxypropyl(triphenyl)phosphanium?
The IUPAC name of 3,3-dimethoxypropyl(triphenyl)phosphanium (CID 10621039) is 3,3-dimethoxypropyl(triphenyl)phosphanium.
What is the SMILES notation for 3,3-dimethoxypropyl(triphenyl)phosphanium?
The canonical SMILES for 3,3-dimethoxypropyl(triphenyl)phosphanium is COC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of 3,3-dimethoxypropyl(triphenyl)phosphanium?
The InChIKey is HSWIADQNEDOVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2P/c1-24-23(25-2)18-19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3/q+1.
What are the key properties of 3,3-dimethoxypropyl(triphenyl)phosphanium?
3,3-dimethoxypropyl(triphenyl)phosphanium has a molecular weight of 365.43 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxypropyl(triphenyl)phosphanium is sourced from PubChem (CID 10621039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).