pentoxycarbonyl(triphenyl)phosphanium

C24H26O2P+ — CID 172731908

IUPACpentoxycarbonyl(triphenyl)phosphanium
SMILESCCCCCOC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2P/c1-2-3-13-20-26-24(25)27(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-19H,2-3,13,20H2,1H3/q+1
InChIKeyHNTAFYBWYWDRNA-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.31
Rot. Bonds8

About pentoxycarbonyl(triphenyl)phosphanium

pentoxycarbonyl(triphenyl)phosphanium (PubChem CID 172731908) has the molecular formula C24H26O2P+ and a molecular weight of 377.44 g/mol. Its IUPAC name is pentoxycarbonyl(triphenyl)phosphanium.

Molecular Properties

Compound Namepentoxycarbonyl(triphenyl)phosphanium
PubChem CID172731908
Molecular FormulaC24H26O2P+
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namepentoxycarbonyl(triphenyl)phosphanium
SMILESCCCCCOC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2P/c1-2-3-13-20-26-24(25)27(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-19H,2-3,13,20H2,1H3/q+1
InChIKeyHNTAFYBWYWDRNA-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(propoxycarbonyl)phosphanium
CID 155678624
triphenyl(propoxycarbonyl)phosphanium bromide
CID 159232069
hexyl (2R)-2-phenylbutanoate
CID 10729236
nonyl 2-phenylbutanoate
CID 91710335
dihexyl 2-phenylpropanedioate
CID 19931020
pentyl (2S)-2-phenylpropanoate
CID 70845237
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
hexyl benzoate
CID 23235
methanol;pentyl benzoate
CID 175222419
benzene;ditridecyl benzene-1,2-dicarboxylate
CID 141316421
pentyl N-phenoxycarbamate
CID 175308591
dodecyl 2-phenyl-2-sulfanylacetate
CID 22981929

Frequently Asked Questions

What is the IUPAC name of pentoxycarbonyl(triphenyl)phosphanium?
The IUPAC name of pentoxycarbonyl(triphenyl)phosphanium (CID 172731908) is pentoxycarbonyl(triphenyl)phosphanium.
What is the SMILES notation for pentoxycarbonyl(triphenyl)phosphanium?
The canonical SMILES for pentoxycarbonyl(triphenyl)phosphanium is CCCCCOC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of pentoxycarbonyl(triphenyl)phosphanium?
The InChIKey is HNTAFYBWYWDRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2P/c1-2-3-13-20-26-24(25)27(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-19H,2-3,13,20H2,1H3/q+1.
What are the key properties of pentoxycarbonyl(triphenyl)phosphanium?
pentoxycarbonyl(triphenyl)phosphanium has a molecular weight of 377.44 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxycarbonyl(triphenyl)phosphanium is sourced from PubChem (CID 172731908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).