1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C24H43ClN2O5Si2 — CID 58013858

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 58013858) has the molecular formula C24H43ClN2O5Si2 and a molecular weight of 531.24 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 58013858
• Molecular Formula: C24H43ClN2O5Si2
• Molecular Weight: 531.24 g/mol
• Exact Mass: 530.24
• IUPAC Name: 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CC1C(n2ccc(=O)[nH]c2=O)OC(/C=C/Cl)(CO[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H43ClN2O5Si2/c1-17-19(32-34(10,11)23(5,6)7)24(13-14-25,16-30-33(8,9)22(2,3)4)31-20(17)27-15-12-18(28)26-21(27)29/h12-15,17,19-20H,16H2,1-11H3,(H,26,28,29)/b14-13+
• InChIKey: WFPPRUCBRKFLRS-BUHFOSPRSA-N
• XLogP: 5.61
• TPSA: 82.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.24
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 58013858) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione is CC1C(n2ccc(=O)[nH]c2=O)OC(/C=C/Cl)(CO[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is WFPPRUCBRKFLRS-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H43ClN2O5Si2/c1-17-19(32-34(10,11)23(5,6)7)24(13-14-25,16-30-33(8,9)22(2,3)4)31-20(17)27-15-12-18(28)26-21(27)29/h12-15,17,19-20H,16H2,1-11H3,(H,26,28,29)/b14-13+.

What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 531.24 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(E)-2-chloroethenyl]-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 58013858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).