1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione

C30H58N2O6Si3 — CID 67566728

About 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione

1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione (PubChem CID 67566728) has the molecular formula C30H58N2O6Si3 and a molecular weight of 627.06 g/mol. Its IUPAC name is 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
• PubChem CID: 67566728
• Molecular Formula: C30H58N2O6Si3
• Molecular Weight: 627.06 g/mol
• Exact Mass: 626.36
• IUPAC Name: 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
• SMILES: C=CCc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C30H58N2O6Si3/c1-17-18-21-19-32(27(34)31-25(21)33)26-24(38-41(15,16)30(8,9)10)23(37-40(13,14)29(5,6)7)22(36-26)20-35-39(11,12)28(2,3)4/h17,19,22-24,26H,1,18,20H2,2-16H3,(H,31,33,34)/t22-,23?,24?,26-/m0/s1
• InChIKey: BYRUJKLJKROYLS-IDABCOFVSA-N
• XLogP: 6.97
• TPSA: 91.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.06
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione (CID 67566728) is 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione is C=CCc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

The InChIKey is BYRUJKLJKROYLS-IDABCOFVSA-N. The full InChI is InChI=1S/C30H58N2O6Si3/c1-17-18-21-19-32(27(34)31-25(21)33)26-24(38-41(15,16)30(8,9)10)23(37-40(13,14)29(5,6)7)22(36-26)20-35-39(11,12)28(2,3)4/h17,19,22-24,26H,1,18,20H2,2-16H3,(H,31,33,34)/t22-,23?,24?,26-/m0/s1.

What are the key properties of 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 627.06 g/mol, XLogP of 6.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 67566728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).