tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane

C17H34O4Si — CID 24823868

IUPACtert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane
SMILESC=CC(OCC)O[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=C)OC
InChIInChI=1S/C17H34O4Si/c1-10-16(19-11-2)21-15(12-14(3)18-7)13-20-22(8,9)17(4,5)6/h10,15-16H,1,3,11-13H2,2,4-9H3/t15-,16?/m1/s1
InChIKeyVHFZFKIBUUPMAH-AAFJCEBUSA-N
MW330.54 g/mol
LogP4.49
Rot. Bonds11

About tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane

tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane (PubChem CID 24823868) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane
PubChem CID24823868
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane
SMILESC=CC(OCC)O[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=C)OC
InChIInChI=1S/C17H34O4Si/c1-10-16(19-11-2)21-15(12-14(3)18-7)13-20-22(8,9)17(4,5)6/h10,15-16H,1,3,11-13H2,2,4-9H3/t15-,16?/m1/s1
InChIKeyVHFZFKIBUUPMAH-AAFJCEBUSA-N
XLogP4.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
CID 134882733
tert-butyl-[1-[[(2S,3S,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
CID 134882843
tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
CID 134882929
1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
CID 134883051
[(Z)-2-[(4R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]boronic acid
CID 166449256
triethyl-[(Z)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-enyl]silane
CID 21597261
triethyl-[(E)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-enyl]silane
CID 177442971
triethyl-[(6-methoxy-3-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)methoxy]silane
CID 20577464
tert-butyl-[[(2R,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59027020
tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 68707768
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane;(2S)-2-ethyloxirane
CID 123762287
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
CID 162517829

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane (CID 24823868) is tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane is C=CC(OCC)O[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=C)OC.
What is the InChIKey of tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane?
The InChIKey is VHFZFKIBUUPMAH-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10-16(19-11-2)21-15(12-14(3)18-7)13-20-22(8,9)17(4,5)6/h10,15-16H,1,3,11-13H2,2,4-9H3/t15-,16?/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane?
tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane has a molecular weight of 330.54 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 24823868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).