tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane

C31H54O5Si2 — CID 11261546

IUPACtert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CC(=C)C
InChIInChI=1S/C31H54O5Si2/c1-14-25(36-38(12,13)31(7,8)9)28(22-33-37(10,11)30(4,5)6)34-27-21-32-29(24-18-16-15-17-19-24)35-26(27)20-23(2)3/h14-19,25-29H,1-2,20-22H2,3-13H3/t25-,26+,27-,28+,29-/m1/s1
InChIKeyGWWIWKMYNVTEGI-FYYQJAJYSA-N
MW562.94 g/mol
LogP8.42
Rot. Bonds12

About tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane

tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane (PubChem CID 11261546) has the molecular formula C31H54O5Si2 and a molecular weight of 562.94 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane
PubChem CID11261546
Molecular FormulaC31H54O5Si2
Molecular Weight562.94 g/mol
Exact Mass562.35
IUPAC Nametert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CC(=C)C
InChIInChI=1S/C31H54O5Si2/c1-14-25(36-38(12,13)31(7,8)9)28(22-33-37(10,11)30(4,5)6)34-27-21-32-29(24-18-16-15-17-19-24)35-26(27)20-23(2)3/h14-19,25-29H,1-2,20-22H2,3-13H3/t25-,26+,27-,28+,29-/m1/s1
InChIKeyGWWIWKMYNVTEGI-FYYQJAJYSA-N
XLogP8.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.94
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol
CID 11489560
[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
CID 11685963
methyl (E)-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-1,3-dioxan-4-yl]but-2-enoate
CID 11811274
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(2R,4aR,6S,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 11539167
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
(2R,4aR,6S,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-b]oxepin-7-one
CID 11036619
(6S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 157295900
(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 123841784
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
CID 102054254
(2R,4aR,6S,7R,8S,8aR)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 11283362

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane (CID 11261546) is tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CC(=C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane?
The InChIKey is GWWIWKMYNVTEGI-FYYQJAJYSA-N. The full InChI is InChI=1S/C31H54O5Si2/c1-14-25(36-38(12,13)31(7,8)9)28(22-33-37(10,11)30(4,5)6)34-27-21-32-29(24-18-16-15-17-19-24)35-26(27)20-23(2)3/h14-19,25-29H,1-2,20-22H2,3-13H3/t25-,26+,27-,28+,29-/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane?
tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane has a molecular weight of 562.94 g/mol, XLogP of 8.42, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11261546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).