1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C60H104N6O15Si4 — CID 160652382

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 160652382) has the molecular formula C60H104N6O15Si4 and a molecular weight of 1261.86 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 160652382
• Molecular Formula: C60H104N6O15Si4
• Molecular Weight: 1261.86 g/mol
• Exact Mass: 1260.66
• IUPAC Name: 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: C=CCC1(CO)OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C.C=CCC1(CO[Si](C)(C)C)OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C.Cc1cn(C2OC3(CO3)C(O[Si](C)(C)C(C)(C)C)C2C)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H42N2O5Si2.C20H34N2O5Si.C17H28N2O5Si/c1-12-13-23(15-28-31(7,8)9)18(30-32(10,11)22(4,5)6)17(3)20(29-23)25-14-16(2)19(26)24-21(25)27;1-9-10-20(12-23)15(27-28(7,8)19(4,5)6)14(3)17(26-20)22-11-13(2)16(24)21-18(22)25;1-10-8-19(15(21)18-13(10)20)14-11(2)12(17(23-14)9-22-17)24-25(6,7)16(3,4)5/h12,14,17-18,20H,1,13,15H2,2-11H3,(H,24,26,27);9,11,14-15,17,23H,1,10,12H2,2-8H3,(H,21,24,25);8,11-12,14H,9H2,1-7H3,(H,18,20,21)
• InChIKey: RKPDGYXXXQDGBV-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 261.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.86
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 160652382) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is C=CCC1(CO)OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C.C=CCC1(CO[Si](C)(C)C)OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1O[Si](C)(C)C(C)(C)C.Cc1cn(C2OC3(CO3)C(O[Si](C)(C)C(C)(C)C)C2C)c(=O)[nH]c1=O.

What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is RKPDGYXXXQDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O5Si2.C20H34N2O5Si.C17H28N2O5Si/c1-12-13-23(15-28-31(7,8)9)18(30-32(10,11)22(4,5)6)17(3)20(29-23)25-14-16(2)19(26)24-21(25)27;1-9-10-20(12-23)15(27-28(7,8)19(4,5)6)14(3)17(26-20)22-11-13(2)16(24)21-18(22)25;1-10-8-19(15(21)18-13(10)20)14-11(2)12(17(23-14)9-22-17)24-25(6,7)16(3,4)5/h12,14,17-18,20H,1,13,15H2,2-11H3,(H,24,26,27);9,11,14-15,17,23H,1,10,12H2,2-8H3,(H,21,24,25);8,11-12,14H,9H2,1-7H3,(H,18,20,21).

What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 1261.86 g/mol, XLogP of 9.40, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione;1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-prop-2-enyl-5-(trimethylsilyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 160652382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).