2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

C15H26NO9P — CID 122429871

IUPAC2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCC(C)(C)OP(=O)(OCCOC(=O)ON1C(=O)CCC1=O)OC(C)(C)C
InChIInChI=1S/C15H26NO9P/c1-14(2,3)24-26(20,25-15(4,5)6)22-10-9-21-13(19)23-16-11(17)7-8-12(16)18/h7-10H2,1-6H3
InChIKeyUDKOCZCBTOBUFK-UHFFFAOYSA-N
MW395.35 g/mol
LogP2.96
Rot. Bonds7

About 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 122429871) has the molecular formula C15H26NO9P and a molecular weight of 395.35 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID122429871
Molecular FormulaC15H26NO9P
Molecular Weight395.35 g/mol
Exact Mass395.13
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCC(C)(C)OP(=O)(OCCOC(=O)ON1C(=O)CCC1=O)OC(C)(C)C
InChIInChI=1S/C15H26NO9P/c1-14(2,3)24-26(20,25-15(4,5)6)22-10-9-21-13(19)23-16-11(17)7-8-12(16)18/h7-10H2,1-6H3
InChIKeyUDKOCZCBTOBUFK-UHFFFAOYSA-N
XLogP2.96
TPSA117.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 10-[2-(2-methoxyethoxy)ethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxydecanoate
CID 88590991
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate
CID 123740028
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate
CID 146634769
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate
CID 122473983

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 122429871) is 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate is CC(C)(C)OP(=O)(OCCOC(=O)ON1C(=O)CCC1=O)OC(C)(C)C.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is UDKOCZCBTOBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO9P/c1-14(2,3)24-26(20,25-15(4,5)6)22-10-9-21-13(19)23-16-11(17)7-8-12(16)18/h7-10H2,1-6H3.
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 395.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 122429871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).