(5-methoxy-5-oxopentyl)-triphenylphosphanium

C24H26O2P+ — CID 3630851

IUPAC(5-methoxy-5-oxopentyl)-triphenylphosphanium
SMILESCOC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2P/c1-26-24(25)19-11-12-20-27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1
InChIKeyNESMDKFCXPKLCY-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.32
Rot. Bonds8

About (5-methoxy-5-oxopentyl)-triphenylphosphanium

(5-methoxy-5-oxopentyl)-triphenylphosphanium (PubChem CID 3630851) has the molecular formula C24H26O2P+ and a molecular weight of 377.44 g/mol. Its IUPAC name is (5-methoxy-5-oxopentyl)-triphenylphosphanium.

Molecular Properties

Compound Name(5-methoxy-5-oxopentyl)-triphenylphosphanium
PubChem CID3630851
Molecular FormulaC24H26O2P+
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(5-methoxy-5-oxopentyl)-triphenylphosphanium
SMILESCOC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2P/c1-26-24(25)19-11-12-20-27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1
InChIKeyNESMDKFCXPKLCY-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.32
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

(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
(6-butan-2-yloxy-6-oxohexyl)-triphenylphosphanium bromide
CID 133061652
[5-oxo-5-[4-(phenylcarbamoylamino)phenoxy]pentyl]-triphenylphosphanium
CID 88754013
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-5-oxopentyl)-triphenylphosphanium?
The IUPAC name of (5-methoxy-5-oxopentyl)-triphenylphosphanium (CID 3630851) is (5-methoxy-5-oxopentyl)-triphenylphosphanium.
What is the SMILES notation for (5-methoxy-5-oxopentyl)-triphenylphosphanium?
The canonical SMILES for (5-methoxy-5-oxopentyl)-triphenylphosphanium is COC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-methoxy-5-oxopentyl)-triphenylphosphanium?
The InChIKey is NESMDKFCXPKLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2P/c1-26-24(25)19-11-12-20-27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1.
What are the key properties of (5-methoxy-5-oxopentyl)-triphenylphosphanium?
(5-methoxy-5-oxopentyl)-triphenylphosphanium has a molecular weight of 377.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-5-oxopentyl)-triphenylphosphanium is sourced from PubChem (CID 3630851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).