tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane

C17H32O5Si — CID 11067928

IUPACtert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/[C@@H]1O[C@H](C)OC[C@H]1OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-13(22-23(7,8)17(3,4)5)9-10-15-16(20-12-18-6)11-19-14(2)21-15/h9-10,14-16H,1,11-12H2,2-8H3/b10-9+/t14-,15+,16-/m1/s1
InChIKeyRTZWMJAJOGEYJD-PCTGVNFZSA-N
MW344.52 g/mol
LogP3.83
Rot. Bonds7

About tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 11067928) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID11067928
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Nametert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/[C@@H]1O[C@H](C)OC[C@H]1OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-13(22-23(7,8)17(3,4)5)9-10-15-16(20-12-18-6)11-19-14(2)21-15/h9-10,14-16H,1,11-12H2,2-8H3/b10-9+/t14-,15+,16-/m1/s1
InChIKeyRTZWMJAJOGEYJD-PCTGVNFZSA-N
XLogP3.83
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 11199420
tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
CID 11444947
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 101685938
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
tert-butyl-[(3Z,6R,7E,9E,11Z,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)henicosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
CID 102518307
tert-butyl-[(3Z,6R,7Z,9E,11Z,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)henicosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
CID 102518308

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane (CID 11067928) is tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane is C=C(/C=C/[C@@H]1O[C@H](C)OC[C@H]1OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is RTZWMJAJOGEYJD-PCTGVNFZSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-13(22-23(7,8)17(3,4)5)9-10-15-16(20-12-18-6)11-19-14(2)21-15/h9-10,14-16H,1,11-12H2,2-8H3/b10-9+/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 344.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11067928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).