[3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate

C12H16N2O7 — CID 11077434

IUPAC[3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate
SMILESCC(=O)OCC(COC(C)=O)OCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O7/c1-8(15)19-5-10(6-20-9(2)16)21-7-14-4-3-11(17)13-12(14)18/h3-4,10H,5-7H2,1-2H3,(H,13,17,18)
InChIKeyPOSKKMFOSPEZNU-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.99
Rot. Bonds7

About [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate

[3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate (PubChem CID 11077434) has the molecular formula C12H16N2O7 and a molecular weight of 300.27 g/mol. Its IUPAC name is [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate.

Molecular Properties

Compound Name[3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate
PubChem CID11077434
Molecular FormulaC12H16N2O7
Molecular Weight300.27 g/mol
Exact Mass300.10
IUPAC Name[3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate
SMILESCC(=O)OCC(COC(C)=O)OCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O7/c1-8(15)19-5-10(6-20-9(2)16)21-7-14-4-3-11(17)13-12(14)18/h3-4,10H,5-7H2,1-2H3,(H,13,17,18)
InChIKeyPOSKKMFOSPEZNU-UHFFFAOYSA-N
XLogP-0.99
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate?
The IUPAC name of [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate (CID 11077434) is [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate.
What is the SMILES notation for [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate?
The canonical SMILES for [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate is CC(=O)OCC(COC(C)=O)OCn1ccc(=O)[nH]c1=O.
What is the InChIKey of [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate?
The InChIKey is POSKKMFOSPEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O7/c1-8(15)19-5-10(6-20-9(2)16)21-7-14-4-3-11(17)13-12(14)18/h3-4,10H,5-7H2,1-2H3,(H,13,17,18).
What are the key properties of [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate?
[3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate has a molecular weight of 300.27 g/mol, XLogP of -0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-2-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl] acetate is sourced from PubChem (CID 11077434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).