1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione

C16H26N2O4Si — CID 58013896

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1OC(n2ccc(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26N2O4Si/c1-10-13(22-23(6,7)16(3,4)5)11(2)21-14(10)18-9-8-12(19)17-15(18)20/h8-10,13-14H,2H2,1,3-7H3,(H,17,19,20)
InChIKeyQWHVSHCIYHMAKY-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.61
Rot. Bonds3

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione

1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 58013896) has the molecular formula C16H26N2O4Si and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID58013896
Molecular FormulaC16H26N2O4Si
Molecular Weight338.48 g/mol
Exact Mass338.17
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1OC(n2ccc(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26N2O4Si/c1-10-13(22-23(6,7)16(3,4)5)11(2)21-14(10)18-9-8-12(19)17-15(18)20/h8-10,13-14H,2H2,1,3-7H3,(H,17,19,20)
InChIKeyQWHVSHCIYHMAKY-UHFFFAOYSA-N
XLogP2.61
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,5R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]pyrimidine-2,4-dione
CID 71566881
1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10571270
1-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10719208
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrooxepin-2-yl]pyrimidine-2,4-dione
CID 146028003
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
CID 11223612
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57337248
(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
CID 5469825
1-[(1R,3R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 89154951
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 123536148
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
CID 58013840
CID 58013840

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione (CID 58013896) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione is C=C1OC(n2ccc(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is QWHVSHCIYHMAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4Si/c1-10-13(22-23(6,7)16(3,4)5)11(2)21-14(10)18-9-8-12(19)17-15(18)20/h8-10,13-14H,2H2,1,3-7H3,(H,17,19,20).
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 338.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 58013896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).