2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one

C25H30O3SSi — CID 10670685

IUPAC2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one
SMILESCC(C)(C)[Si](OCC1CCC(C2C=CC(=O)S2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30O3SSi/c1-25(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-18-19-14-15-22(28-19)23-16-17-24(26)29-23/h4-13,16-17,19,22-23H,14-15,18H2,1-3H3
InChIKeyOUTYEJXMBSOZFH-UHFFFAOYSA-N
MW438.67 g/mol
LogP4.31
Rot. Bonds6

About 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one

2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one (PubChem CID 10670685) has the molecular formula C25H30O3SSi and a molecular weight of 438.67 g/mol. Its IUPAC name is 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one.

Molecular Properties

Compound Name2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one
PubChem CID10670685
Molecular FormulaC25H30O3SSi
Molecular Weight438.67 g/mol
Exact Mass438.17
IUPAC Name2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one
SMILESCC(C)(C)[Si](OCC1CCC(C2C=CC(=O)S2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30O3SSi/c1-25(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-18-19-14-15-22(28-19)23-16-17-24(26)29-23/h4-13,16-17,19,22-23H,14-15,18H2,1-3H3
InChIKeyOUTYEJXMBSOZFH-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.67
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one?
The IUPAC name of 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one (CID 10670685) is 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one.
What is the SMILES notation for 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one?
The canonical SMILES for 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one is CC(C)(C)[Si](OCC1CCC(C2C=CC(=O)S2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one?
The InChIKey is OUTYEJXMBSOZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3SSi/c1-25(2,3)30(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-18-19-14-15-22(28-19)23-16-17-24(26)29-23/h4-13,16-17,19,22-23H,14-15,18H2,1-3H3.
What are the key properties of 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one?
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one has a molecular weight of 438.67 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-2H-thiophen-5-one is sourced from PubChem (CID 10670685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).