tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane

C20H44O4Si2 — CID 11486539

IUPACtert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-16(14-23-25(10,11)19(3,4)5)18(22-15-21-9)17(2)24-26(12,13)20(6,7)8/h16,18H,2,14-15H2,1,3-13H3/t16-,18+/m1/s1
InChIKeyZHBPPPZZYLKUTP-AEFFLSMTSA-N
MW404.74 g/mol
LogP6.17
Rot. Bonds10

About tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane

tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane (PubChem CID 11486539) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane
PubChem CID11486539
Molecular FormulaC20H44O4Si2
Molecular Weight404.74 g/mol
Exact Mass404.28
IUPAC Nametert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-16(14-23-25(10,11)19(3,4)5)18(22-15-21-9)17(2)24-26(12,13)20(6,7)8/h16,18H,2,14-15H2,1,3-13H3/t16-,18+/m1/s1
InChIKeyZHBPPPZZYLKUTP-AEFFLSMTSA-N
XLogP6.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 56.17
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'}

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Related Compounds

triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
CID 10663386
tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane
CID 24823220
tert-butyl-[(2R)-2-(1-ethoxy-2-methylprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane
CID 101839473

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane (CID 11486539) is tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane?
The InChIKey is ZHBPPPZZYLKUTP-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-16(14-23-25(10,11)19(3,4)5)18(22-15-21-9)17(2)24-26(12,13)20(6,7)8/h16,18H,2,14-15H2,1,3-13H3/t16-,18+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane has a molecular weight of 404.74 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2-methylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11486539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).