[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane

C20H40O3Si — CID 11222033

IUPAC[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1CC(OCCCC)O[C@H]1C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-9-11-12-21-19-14-17(10-2)18(23-19)13-16(3)15-22-24(7,8)20(4,5)6/h10,16-19H,2,9,11-15H2,1,3-8H3/t16-,17+,18-,19?/m0/s1
InChIKeyTZDFQYILBDAEOV-TUVJXNFZSA-N
MW356.62 g/mol
LogP5.77
Rot. Bonds10

About [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane

[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 11222033) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
PubChem CID11222033
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1CC(OCCCC)O[C@H]1C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-9-11-12-21-19-14-17(10-2)18(23-19)13-16(3)15-22-24(7,8)20(4,5)6/h10,16-19H,2,9,11-15H2,1,3-8H3/t16-,17+,18-,19?/m0/s1
InChIKeyTZDFQYILBDAEOV-TUVJXNFZSA-N
XLogP5.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]oxyethyl]silane
CID 11172557
trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane
CID 102254535
3-[(2S,3S)-5-butoxy-3-ethenyl-3-methyloxolan-2-yl]propoxy-tert-butyl-dimethylsilane
CID 134867225
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
CID 135015253
tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hex-5-en-3-yl]oxysilane
CID 154719882
tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 10940077
tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane
CID 10522427
(2S,3R)-3-but-3-enyl-5-butoxy-2-pentyloxolane
CID 10923558
tert-butyl-[(2R,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane
CID 10935949
[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
CID 10991096
tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane
CID 11046144
tert-butyl-[(2S,3R,4S,5S,6S)-2-methoxy-3,5-dimethyl-6-prop-2-enyloxan-4-yl]oxy-dimethylsilane
CID 11056140

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane (CID 11222033) is [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane is C=C[C@@H]1CC(OCCCC)O[C@H]1C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is TZDFQYILBDAEOV-TUVJXNFZSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-9-11-12-21-19-14-17(10-2)18(23-19)13-16(3)15-22-24(7,8)20(4,5)6/h10,16-19H,2,9,11-15H2,1,3-8H3/t16-,17+,18-,19?/m0/s1.
What are the key properties of [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 356.62 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11222033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).