tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane

C20H42O5Si2 — CID 102127988

IUPACtert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane
SMILESC=C1O[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C20H42O5Si2/c1-14-15(21-8)16(24-26(10,11)19(2,3)4)17(18(22-9)23-14)25-27(12,13)20(5,6)7/h15-18H,1H2,2-13H3/t15-,16+,17-,18+/m1/s1
InChIKeyPRBXQZGETCHHHF-XDNAFOTISA-N
MW418.72 g/mol
LogP5.30
Rot. Bonds6

About tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane (PubChem CID 102127988) has the molecular formula C20H42O5Si2 and a molecular weight of 418.72 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane
PubChem CID102127988
Molecular FormulaC20H42O5Si2
Molecular Weight418.72 g/mol
Exact Mass418.26
IUPAC Nametert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane
SMILESC=C1O[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C20H42O5Si2/c1-14-15(21-8)16(24-26(10,11)19(2,3)4)17(18(22-9)23-14)25-27(12,13)20(5,6)7/h15-18H,1H2,2-13H3/t15-,16+,17-,18+/m1/s1
InChIKeyPRBXQZGETCHHHF-XDNAFOTISA-N
XLogP5.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.72
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3aR,4R,7R,7aR)-2,2-dimethyl-6-pent-4-enoxy-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134878490
[(2S,3S,4S,5S)-2-methoxy-6-methylidene-3,5-bis(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 11269385
(6aR,9aS)-8-methoxy-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 69925358
tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
CID 69944761
Tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane
CID 139790325
(4S,5R)-2,2-ditert-butyl-5-(methoxymethoxy)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinane
CID 164606420
[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10724807
[(2S,3R,4S)-3-[(2S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 11215583
[(2R,3R,4S)-3-[(2S,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 11478958
(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol
CID 11733670
tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane
CID 11763344
tert-butyl-[(2R)-2-(1-ethoxyprop-2-enoxy)-4-methoxypent-4-enoxy]-dimethylsilane
CID 24823868

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane (CID 102127988) is tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane is C=C1O[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC.
What is the InChIKey of tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane?
The InChIKey is PRBXQZGETCHHHF-XDNAFOTISA-N. The full InChI is InChI=1S/C20H42O5Si2/c1-14-15(21-8)16(24-26(10,11)19(2,3)4)17(18(22-9)23-14)25-27(12,13)20(5,6)7/h15-18H,1H2,2-13H3/t15-,16+,17-,18+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane has a molecular weight of 418.72 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethoxy-6-methylideneoxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102127988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).