tert-butyl-hex-3-ynoxy-diphenylsilane

C22H28OSi — CID 10860665

IUPACtert-butyl-hex-3-ynoxy-diphenylsilane
SMILESCCC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28OSi/c1-5-6-7-14-19-23-24(22(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18H,5,14,19H2,1-4H3
InChIKeyZZTONRFSSXLHAA-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-hex-3-ynoxy-diphenylsilane

tert-butyl-hex-3-ynoxy-diphenylsilane (PubChem CID 10860665) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is tert-butyl-hex-3-ynoxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-hex-3-ynoxy-diphenylsilane
PubChem CID10860665
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Nametert-butyl-hex-3-ynoxy-diphenylsilane
SMILESCCC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28OSi/c1-5-6-7-14-19-23-24(22(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18H,5,14,19H2,1-4H3
InChIKeyZZTONRFSSXLHAA-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-one
CID 24795140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hex-3-ynoxy-diphenylsilane?
The IUPAC name of tert-butyl-hex-3-ynoxy-diphenylsilane (CID 10860665) is tert-butyl-hex-3-ynoxy-diphenylsilane.
What is the SMILES notation for tert-butyl-hex-3-ynoxy-diphenylsilane?
The canonical SMILES for tert-butyl-hex-3-ynoxy-diphenylsilane is CCC#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-hex-3-ynoxy-diphenylsilane?
The InChIKey is ZZTONRFSSXLHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28OSi/c1-5-6-7-14-19-23-24(22(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18H,5,14,19H2,1-4H3.
What are the key properties of tert-butyl-hex-3-ynoxy-diphenylsilane?
tert-butyl-hex-3-ynoxy-diphenylsilane has a molecular weight of 336.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hex-3-ynoxy-diphenylsilane is sourced from PubChem (CID 10860665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).