[2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium

C28H36O6P2+2 — CID 87453599

IUPAC[2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCCC(CC)COC(=O)C([P+](=O)C(=O)c1c(C)cc(C)cc1C)[P+](=O)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C28H36O6P2/c1-9-22(10-2)15-34-25(29)28(35(32)26(30)23-18(5)11-16(3)12-19(23)6)36(33)27(31)24-20(7)13-17(4)14-21(24)8/h11-14,22,28H,9-10,15H2,1-8H3/q+2
InChIKeyGYCFDEPRSIYVOR-UHFFFAOYSA-N
MW530.54 g/mol
LogP7.48
Rot. Bonds11

About [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium

[2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 87453599) has the molecular formula C28H36O6P2+2 and a molecular weight of 530.54 g/mol. Its IUPAC name is [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Name[2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID87453599
Molecular FormulaC28H36O6P2+2
Molecular Weight530.54 g/mol
Exact Mass530.20
IUPAC Name[2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCCC(CC)COC(=O)C([P+](=O)C(=O)c1c(C)cc(C)cc1C)[P+](=O)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C28H36O6P2/c1-9-22(10-2)15-34-25(29)28(35(32)26(30)23-18(5)11-16(3)12-19(23)6)36(33)27(31)24-20(7)13-17(4)14-21(24)8/h11-14,22,28H,9-10,15H2,1-8H3/q+2
InChIKeyGYCFDEPRSIYVOR-UHFFFAOYSA-N
XLogP7.48
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 114208464
oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium
CID 173194919
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 174439247
oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 141294399
3-(aminomethyl)-1-(2-methoxy-4,6-dimethylphenyl)pentan-1-one
CID 106681794
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
2-ethylbutyl 2-methylpropanoate
CID 551315
2-(aminomethyl)-4-ethyl-6-(2,3,5-trimethylphenyl)hexanoic acid
CID 69270674
oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium
CID 173194779
1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol
CID 21413032
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium (CID 87453599) is [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium is CCC(CC)COC(=O)C([P+](=O)C(=O)c1c(C)cc(C)cc1C)[P+](=O)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is GYCFDEPRSIYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O6P2/c1-9-22(10-2)15-34-25(29)28(35(32)26(30)23-18(5)11-16(3)12-19(23)6)36(33)27(31)24-20(7)13-17(4)14-21(24)8/h11-14,22,28H,9-10,15H2,1-8H3/q+2.
What are the key properties of [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
[2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 530.54 g/mol, XLogP of 7.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylbutoxy)-2-oxo-1-[oxo-(2,4,6-trimethylbenzoyl)phosphaniumyl]ethyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 87453599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).