tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane

C23H28O2Si — CID 73192940

IUPACtert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
SMILESCC1OC1C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H28O2Si/c1-19-22(25-19)17-11-12-18-24-26(23(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19,22H,12,18H2,1-4H3
InChIKeyDUQWMOMXNARQGZ-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane

tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane (PubChem CID 73192940) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
PubChem CID73192940
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Nametert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
SMILESCC1OC1C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H28O2Si/c1-19-22(25-19)17-11-12-18-24-26(23(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19,22H,12,18H2,1-4H3
InChIKeyDUQWMOMXNARQGZ-UHFFFAOYSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[[(4R,5S)-2,2-dimethyl-5-pent-1-ynyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 101378354
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
[(2R,3S,6S)-3-acetyloxy-6-[4-[tert-butyl(diphenyl)silyl]oxybut-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 101256997
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane (CID 73192940) is tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane is CC1OC1C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane?
The InChIKey is DUQWMOMXNARQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2Si/c1-19-22(25-19)17-11-12-18-24-26(23(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,19,22H,12,18H2,1-4H3.
What are the key properties of tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane?
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane has a molecular weight of 364.56 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane is sourced from PubChem (CID 73192940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).