4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal

C20H22O2Si — CID 10925331

IUPAC4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal
SMILESCC(C)(C)[Si](OCC#CC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-16H,17H2,1-3H3
InChIKeyXFXCQMJHBNUCIX-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.77
Rot. Bonds4

About 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal

4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal (PubChem CID 10925331) has the molecular formula C20H22O2Si and a molecular weight of 322.48 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal
PubChem CID10925331
Molecular FormulaC20H22O2Si
Molecular Weight322.48 g/mol
Exact Mass322.14
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal
SMILESCC(C)(C)[Si](OCC#CC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-16H,17H2,1-3H3
InChIKeyXFXCQMJHBNUCIX-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldimethoxysilane
CID 81284
Diphenyldiethoxysilane
CID 75705
Ethoxymethyldiphenylsilane
CID 74576
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
Tert-butyl(3-iodopropoxy)diphenylsilane
CID 11177744
Tert-butyl(2-iodoethoxy)diphenylsilane
CID 11269862
Diphenyl-dipropoxy-silane
CID 14324871
Dibutoxy(diphenyl)silane
CID 13637536
t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219
tert-Butyl(3-butynyloxy)diphenylsilane
CID 613593
Tert-butyl(methoxy)diphenylsilane
CID 4712651

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal (CID 10925331) is 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal is CC(C)(C)[Si](OCC#CC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal?
The InChIKey is XFXCQMJHBNUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2Si/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-16H,17H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal?
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal has a molecular weight of 322.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxybut-2-ynal is sourced from PubChem (CID 10925331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).