tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane

C18H34O4Si — CID 11782845

IUPACtert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@@H]1O[C@H](/C=C/C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OCOC
InChIInChI=1S/C18H34O4Si/c1-9-11-14-16(20-13-19-6)17(15(21-14)12-10-2)22-23(7,8)18(3,4)5/h9-12,14-17H,13H2,1-8H3/b11-9+,12-10+/t14-,15+,16-,17-/m0/s1
InChIKeyGBRWCADEFDFADR-NPIJCJNGSA-N
MW342.55 g/mol
LogP4.29
Rot. Bonds7

About tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane (PubChem CID 11782845) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane
PubChem CID11782845
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@@H]1O[C@H](/C=C/C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OCOC
InChIInChI=1S/C18H34O4Si/c1-9-11-14-16(20-13-19-6)17(15(21-14)12-10-2)22-23(7,8)18(3,4)5/h9-12,14-17H,13H2,1-8H3/b11-9+,12-10+/t14-,15+,16-,17-/m0/s1
InChIKeyGBRWCADEFDFADR-NPIJCJNGSA-N
XLogP4.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

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CID 10935827
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(2E,4E,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11513219
5-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,5-dihydrofuran-2-yl]pent-1-ynyl-tri(propan-2-yl)silane
CID 11574697
[(2E,4Z,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11693315
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
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CID 15657490
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
[(3aS,4S,5R,7aS)-7-iodo-4-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tri(propan-2-yl)silane
CID 72190643

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane (CID 11782845) is tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane is C/C=C/[C@@H]1O[C@H](/C=C/C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OCOC.
What is the InChIKey of tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane?
The InChIKey is GBRWCADEFDFADR-NPIJCJNGSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-9-11-14-16(20-13-19-6)17(15(21-14)12-10-2)22-23(7,8)18(3,4)5/h9-12,14-17H,13H2,1-8H3/b11-9+,12-10+/t14-,15+,16-,17-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane has a molecular weight of 342.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,4S,5S)-4-(methoxymethoxy)-2,5-bis[(E)-prop-1-enyl]oxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11782845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).