bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium

C24H20N2O9P+ — CID 67892806

IUPACbis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)O[P+](=O)OC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O9P/c27-19(11-5-13-25-21(29)15-7-1-2-8-16(15)22(25)30)34-36(33)35-20(28)12-6-14-26-23(31)17-9-3-4-10-18(17)24(26)32/h1-4,7-10H,5-6,11-14H2/q+1
InChIKeyHSRGDBBLZBJZIN-UHFFFAOYSA-N
MW511.40 g/mol
LogP2.88
Rot. Bonds10

About bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium

bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium (PubChem CID 67892806) has the molecular formula C24H20N2O9P+ and a molecular weight of 511.40 g/mol. Its IUPAC name is bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium.

Molecular Properties

Compound Namebis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium
PubChem CID67892806
Molecular FormulaC24H20N2O9P+
Molecular Weight511.40 g/mol
Exact Mass511.09
IUPAC Namebis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)O[P+](=O)OC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N2O9P/c27-19(11-5-13-25-21(29)15-7-1-2-8-16(15)22(25)30)34-36(33)35-20(28)12-6-14-26-23(31)17-9-3-4-10-18(17)24(26)32/h1-4,7-10H,5-6,11-14H2/q+1
InChIKeyHSRGDBBLZBJZIN-UHFFFAOYSA-N
XLogP2.88
TPSA144.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
(4-bromophenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 1303817
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
3-(1,3-dioxoisoindol-2-yl)propyl-hydroxy-oxophosphanium
CID 69272985
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
methylsulfanylmethyl 6-(1,3-dioxoisoindol-2-yl)hexanoate
CID 10829605
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-(4-fluorophenoxy)ethyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362967
[2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363316
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694

Frequently Asked Questions

What is the IUPAC name of bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium?
The IUPAC name of bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium (CID 67892806) is bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium.
What is the SMILES notation for bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium?
The canonical SMILES for bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium is O=C(CCCN1C(=O)c2ccccc2C1=O)O[P+](=O)OC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium?
The InChIKey is HSRGDBBLZBJZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O9P/c27-19(11-5-13-25-21(29)15-7-1-2-8-16(15)22(25)30)34-36(33)35-20(28)12-6-14-26-23(31)17-9-3-4-10-18(17)24(26)32/h1-4,7-10H,5-6,11-14H2/q+1.
What are the key properties of bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium?
bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium has a molecular weight of 511.40 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]-oxophosphanium is sourced from PubChem (CID 67892806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).