1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C27H32N2O4Si — CID 11374969

IUPAC1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H32N2O4Si/c1-6-22-23(17-24(32-22)29-18-19(2)25(30)28-26(29)31)33-34(27(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,18,22-24H,1,17H2,2-5H3,(H,28,30,31)/t22-,23+,24-/m1/s1
InChIKeyYUIDIUJJDALAIT-TZRRMPRUSA-N
MW476.65 g/mol
LogP3.26
Rot. Bonds6

About 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11374969) has the molecular formula C27H32N2O4Si and a molecular weight of 476.65 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11374969
Molecular FormulaC27H32N2O4Si
Molecular Weight476.65 g/mol
Exact Mass476.21
IUPAC Name1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H32N2O4Si/c1-6-22-23(17-24(32-22)29-18-19(2)25(30)28-26(29)31)33-34(27(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,18,22-24H,1,17H2,2-5H3,(H,28,30,31)/t22-,23+,24-/m1/s1
InChIKeyYUIDIUJJDALAIT-TZRRMPRUSA-N
XLogP3.26
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 11374969) is 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is C=C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is YUIDIUJJDALAIT-TZRRMPRUSA-N. The full InChI is InChI=1S/C27H32N2O4Si/c1-6-22-23(17-24(32-22)29-18-19(2)25(30)28-26(29)31)33-34(27(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,18,22-24H,1,17H2,2-5H3,(H,28,30,31)/t22-,23+,24-/m1/s1.
What are the key properties of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 476.65 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11374969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).