5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one

C21H26O2Si — CID 11724726

IUPAC5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one
SMILESC=CC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O2Si/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15H,1,16-17H2,2-4H3
InChIKeyDAFCFPRIBQGCPX-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.71
Rot. Bonds7

About 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one

5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one (PubChem CID 11724726) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one
PubChem CID11724726
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one
SMILESC=CC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O2Si/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15H,1,16-17H2,2-4H3
InChIKeyDAFCFPRIBQGCPX-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one (CID 11724726) is 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one is C=CC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one?
The InChIKey is DAFCFPRIBQGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-5-18(22)16-17-23-24(21(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-15H,1,16-17H2,2-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one?
5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one has a molecular weight of 338.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxypent-1-en-3-one is sourced from PubChem (CID 11724726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).