propanoate;trimethyl(trityl)phosphanium

C25H29O2P — CID 18355979

IUPACpropanoate;trimethyl(trityl)phosphanium
SMILESCCC(=O)[O-].C[P+](C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24P.C3H6O2/c1-23(2,3)22(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-2-3(4)5/h4-18H,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyGXOGVNKCNZEXGD-UHFFFAOYSA-M
MW392.48 g/mol
LogP5.03
Rot. Bonds5

About propanoate;trimethyl(trityl)phosphanium

propanoate;trimethyl(trityl)phosphanium (PubChem CID 18355979) has the molecular formula C25H29O2P and a molecular weight of 392.48 g/mol. Its IUPAC name is propanoate;trimethyl(trityl)phosphanium.

Molecular Properties

Compound Namepropanoate;trimethyl(trityl)phosphanium
PubChem CID18355979
Molecular FormulaC25H29O2P
Molecular Weight392.48 g/mol
Exact Mass392.19
IUPAC Namepropanoate;trimethyl(trityl)phosphanium
SMILESCCC(=O)[O-].C[P+](C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24P.C3H6O2/c1-23(2,3)22(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-2-3(4)5/h4-18H,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyGXOGVNKCNZEXGD-UHFFFAOYSA-M
XLogP5.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(trityl)phosphanium fluoride
CID 18356035
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CID 157164859
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CID 13299690
potassium;sodium;2-phenyl-2-propan-2-ylpropanedioate
CID 139411731
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
triethyl(trityl)phosphanium
CID 18355930
propanoate;trimethyl(phenyl)azanium
CID 70571170
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2,2-diphenylpentan-3-one
CID 70793023
6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
CID 23616922

Frequently Asked Questions

What is the IUPAC name of propanoate;trimethyl(trityl)phosphanium?
The IUPAC name of propanoate;trimethyl(trityl)phosphanium (CID 18355979) is propanoate;trimethyl(trityl)phosphanium.
What is the SMILES notation for propanoate;trimethyl(trityl)phosphanium?
The canonical SMILES for propanoate;trimethyl(trityl)phosphanium is CCC(=O)[O-].C[P+](C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of propanoate;trimethyl(trityl)phosphanium?
The InChIKey is GXOGVNKCNZEXGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24P.C3H6O2/c1-23(2,3)22(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-2-3(4)5/h4-18H,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of propanoate;trimethyl(trityl)phosphanium?
propanoate;trimethyl(trityl)phosphanium has a molecular weight of 392.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;trimethyl(trityl)phosphanium is sourced from PubChem (CID 18355979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).