tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane

C34H56O6Si2 — CID 71490040

IUPACtert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane
SMILESCOCO[C@H]([C@H](C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1(C)OCCO1
InChIInChI=1S/C34H56O6Si2/c1-27(25-39-42(33(5,6)7,28-18-14-12-15-19-28)29-20-16-13-17-21-29)24-30(40-41(10,11)32(2,3)4)31(36-26-35-9)34(8)37-22-23-38-34/h12-21,27,30-31H,22-26H2,1-11H3/t27-,30+,31-/m1/s1
InChIKeyYSOIYVZUOFHIGE-JMJMSVOMSA-N
MW616.99 g/mol
LogP6.73
Rot. Bonds14

About tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane

tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane (PubChem CID 71490040) has the molecular formula C34H56O6Si2 and a molecular weight of 616.99 g/mol. Its IUPAC name is tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane
PubChem CID71490040
Molecular FormulaC34H56O6Si2
Molecular Weight616.99 g/mol
Exact Mass616.36
IUPAC Nametert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane
SMILESCOCO[C@H]([C@H](C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1(C)OCCO1
InChIInChI=1S/C34H56O6Si2/c1-27(25-39-42(33(5,6)7,28-18-14-12-15-19-28)29-20-16-13-17-21-29)24-30(40-41(10,11)32(2,3)4)31(36-26-35-9)34(8)37-22-23-38-34/h12-21,27,30-31H,22-26H2,1-11H3/t27-,30+,31-/m1/s1
InChIKeyYSOIYVZUOFHIGE-JMJMSVOMSA-N
XLogP6.73
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.99
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
tert-butyl-[(2R,3R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl]oxy-diphenylsilane
CID 10816744
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
CID 10874560
(2S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexane-2,4-diol
CID 11123563
tert-butyl-[(1S,2R,3R,4S)-3-[(1S)-2-ethoxy-1-triethylsilyloxyprop-2-enyl]-4-[(2S)-2-(methoxymethoxy)pent-4-en-2-yl]-2-methylcyclopentyl]oxy-diphenylsilane
CID 11422536
tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane
CID 11467596
(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol
CID 11585378
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E,3S)-3-(methoxymethoxymethyl)-3-methyl-6-trimethylsilylhex-4-enyl]-3-methyloxolan-2-ol
CID 11671688
tert-butyl-[[(2R,4S,5S,8S,9R)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
CID 11706330
[(2R,4R,6R)-2-[2-[(1S,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-methoxyoxan-4-yl]oxy-tert-butyl-diphenylsilane
CID 13818336
tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane
CID 14164739
tert-butyl-[(1R)-1-[(2S)-5-methoxyoxolan-2-yl]ethoxy]-diphenylsilane
CID 14636356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane (CID 71490040) is tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane is COCO[C@H]([C@H](C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1(C)OCCO1.
What is the InChIKey of tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane?
The InChIKey is YSOIYVZUOFHIGE-JMJMSVOMSA-N. The full InChI is InChI=1S/C34H56O6Si2/c1-27(25-39-42(33(5,6)7,28-18-14-12-15-19-28)29-20-16-13-17-21-29)24-30(40-41(10,11)32(2,3)4)31(36-26-35-9)34(8)37-22-23-38-34/h12-21,27,30-31H,22-26H2,1-11H3/t27-,30+,31-/m1/s1.
What are the key properties of tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane?
tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane has a molecular weight of 616.99 g/mol, XLogP of 6.73, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentoxy]-diphenylsilane is sourced from PubChem (CID 71490040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).