2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone

C26H40N2O10P2+2 — CID 15832283

IUPAC2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone
SMILESCC1(C)CN(C(=O)COc2ccccc2OCC(=O)N2CC(C)(C)O[P+](=O)OC(C)(C)C2)CC(C)(C)O[P+](=O)O1
InChIInChI=1S/C26H40N2O10P2/c1-23(2)15-27(16-24(3,4)36-39(31)35-23)21(29)13-33-19-11-9-10-12-20(19)34-14-22(30)28-17-25(5,6)37-40(32)38-26(7,8)18-28/h9-12H,13-18H2,1-8H3/q+2
InChIKeyWLFJYKSTAYUQBE-UHFFFAOYSA-N
MW602.56 g/mol
LogP4.62
Rot. Bonds6

About 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone

2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone (PubChem CID 15832283) has the molecular formula C26H40N2O10P2+2 and a molecular weight of 602.56 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone.

Molecular Properties

Compound Name2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone
PubChem CID15832283
Molecular FormulaC26H40N2O10P2+2
Molecular Weight602.56 g/mol
Exact Mass602.21
IUPAC Name2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone
SMILESCC1(C)CN(C(=O)COc2ccccc2OCC(=O)N2CC(C)(C)O[P+](=O)OC(C)(C)C2)CC(C)(C)O[P+](=O)O1
InChIInChI=1S/C26H40N2O10P2/c1-23(2)15-27(16-24(3,4)36-39(31)35-23)21(29)13-33-19-11-9-10-12-20(19)34-14-22(30)28-17-25(5,6)37-40(32)38-26(7,8)18-28/h9-12H,13-18H2,1-8H3/q+2
InChIKeyWLFJYKSTAYUQBE-UHFFFAOYSA-N
XLogP4.62
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone with MolForge

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Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 86981388
(1S,5R)-3-[2-(2-methoxyphenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135113397
2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile
CID 35026256
3-methyl-1-[2-(2-phenylmethoxyphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119256206
1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 97026017
2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 120817423
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone?
The IUPAC name of 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone (CID 15832283) is 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone.
What is the SMILES notation for 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone?
The canonical SMILES for 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone is CC1(C)CN(C(=O)COc2ccccc2OCC(=O)N2CC(C)(C)O[P+](=O)OC(C)(C)C2)CC(C)(C)O[P+](=O)O1.
What is the InChIKey of 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone?
The InChIKey is WLFJYKSTAYUQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O10P2/c1-23(2)15-27(16-24(3,4)36-39(31)35-23)21(29)13-33-19-11-9-10-12-20(19)34-14-22(30)28-17-25(5,6)37-40(32)38-26(7,8)18-28/h9-12H,13-18H2,1-8H3/q+2.
What are the key properties of 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone?
2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone has a molecular weight of 602.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone is sourced from PubChem (CID 15832283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).