tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane

C19H34O3SSi — CID 170986126

IUPACtert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane
SMILESCCc1cc(CO[Si](C)(C)C(C)(C)C)sc1COC1CCCCO1
InChIInChI=1S/C19H34O3SSi/c1-7-15-12-16(13-22-24(5,6)19(2,3)4)23-17(15)14-21-18-10-8-9-11-20-18/h12,18H,7-11,13-14H2,1-6H3
InChIKeyDPAMWUIXXHXNLJ-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.88
Rot. Bonds7

About tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane

tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane (PubChem CID 170986126) has the molecular formula C19H34O3SSi and a molecular weight of 370.63 g/mol. Its IUPAC name is tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane
PubChem CID170986126
Molecular FormulaC19H34O3SSi
Molecular Weight370.63 g/mol
Exact Mass370.20
IUPAC Nametert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane
SMILESCCc1cc(CO[Si](C)(C)C(C)(C)C)sc1COC1CCCCO1
InChIInChI=1S/C19H34O3SSi/c1-7-15-12-16(13-22-24(5,6)19(2,3)4)23-17(15)14-21-18-10-8-9-11-20-18/h12,18H,7-11,13-14H2,1-6H3
InChIKeyDPAMWUIXXHXNLJ-UHFFFAOYSA-N
XLogP5.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
CID 154937589
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
3-(iodomethyl)-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 166940250
3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
CID 148635999
3-[2-methyl-5-(oxan-2-yloxymethyl)-1,3-thiazol-4-yl]benzoic acid
CID 18613074
2-ethoxyoxane;ethoxy(trimethyl)silane;methane
CID 159715846
magnesium;2-ethoxyoxane;dichloride
CID 158421621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane (CID 170986126) is tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane is CCc1cc(CO[Si](C)(C)C(C)(C)C)sc1COC1CCCCO1.
What is the InChIKey of tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane?
The InChIKey is DPAMWUIXXHXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3SSi/c1-7-15-12-16(13-22-24(5,6)19(2,3)4)23-17(15)14-21-18-10-8-9-11-20-18/h12,18H,7-11,13-14H2,1-6H3.
What are the key properties of tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane has a molecular weight of 370.63 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-ethyl-5-(oxan-2-yloxymethyl)thiophen-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 170986126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).