triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane

C18H28OSi — CID 12851273

IUPACtriethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane
SMILESC#CC(C)(CCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C18H28OSi/c1-6-18(5,19-20(7-2,8-3)9-4)16-15-17-13-11-10-12-14-17/h1,10-14H,7-9,15-16H2,2-5H3
InChIKeyIDAPBFZLAYVCHL-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.03
Rot. Bonds8

About triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane

triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane (PubChem CID 12851273) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane.

Molecular Properties

Compound Nametriethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane
PubChem CID12851273
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Nametriethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane
SMILESC#CC(C)(CCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C18H28OSi/c1-6-18(5,19-20(7-2,8-3)9-4)16-15-17-13-11-10-12-14-17/h1,10-14H,7-9,15-16H2,2-5H3
InChIKeyIDAPBFZLAYVCHL-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-ethyl-3-methylpent-4-ynyl]benzene
CID 134967754
[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene
CID 88755300
2-ethynyl-2-(2-phenylethyl)hexanoic acid
CID 118039929
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine
CID 175434469
3-methyloct-1-yn-3-yloxybenzene
CID 10398427
2-(2-methoxyphenyl)-4-phenylbutan-2-amine
CID 54918972
(2-methyl-1-phenylbut-3-yn-2-yl) acetate
CID 3289917
triethyl(5-phenylpent-1-ynoxy)silane
CID 67428046
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327

Frequently Asked Questions

What is the IUPAC name of triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane?
The IUPAC name of triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane (CID 12851273) is triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane.
What is the SMILES notation for triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane?
The canonical SMILES for triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane is C#CC(C)(CCc1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane?
The InChIKey is IDAPBFZLAYVCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-6-18(5,19-20(7-2,8-3)9-4)16-15-17-13-11-10-12-14-17/h1,10-14H,7-9,15-16H2,2-5H3.
What are the key properties of triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane?
triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane has a molecular weight of 288.51 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane is sourced from PubChem (CID 12851273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).