tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane

C21H38O4Si — CID 42644288

IUPACtert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
SMILESCOCO[C@H](CC[C@H](C)OCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O4Si/c1-18(23-15-19-11-9-8-10-12-19)13-14-20(24-17-22-5)16-25-26(6,7)21(2,3)4/h8-12,18,20H,13-17H2,1-7H3/t18-,20+/m0/s1
InChIKeyIUAFUASFKKSAOO-AZUAARDMSA-N
MW382.62 g/mol
LogP5.38
Rot. Bonds12

About tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane

tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane (PubChem CID 42644288) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
PubChem CID42644288
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Nametert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
SMILESCOCO[C@H](CC[C@H](C)OCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O4Si/c1-18(23-15-19-11-9-8-10-12-19)13-14-20(24-17-22-5)16-25-26(6,7)21(2,3)4/h8-12,18,20H,13-17H2,1-7H3/t18-,20+/m0/s1
InChIKeyIUAFUASFKKSAOO-AZUAARDMSA-N
XLogP5.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.38
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'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol
CID 10437043
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
CID 68630096
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
methyl (4S,5S)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14559197
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
CID 56935062

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane (CID 42644288) is tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane is COCO[C@H](CC[C@H](C)OCc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane?
The InChIKey is IUAFUASFKKSAOO-AZUAARDMSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-18(23-15-19-11-9-8-10-12-19)13-14-20(24-17-22-5)16-25-26(6,7)21(2,3)4/h8-12,18,20H,13-17H2,1-7H3/t18-,20+/m0/s1.
What are the key properties of tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane?
tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane has a molecular weight of 382.62 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane is sourced from PubChem (CID 42644288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).