[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate

C22H48O4Si2 — CID 10884543

IUPAC[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate
SMILESCC(=O)OCC[C@](C)(CO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O4Si2/c1-17(2)28(18(3)4,19(5)6)26-22(11,14-15-24-20(7)23)16-25-27(12,13)21(8,9)10/h17-19H,14-16H2,1-13H3/t22-/m1/s1
InChIKeyUOBXYGRXZBKNIF-JOCHJYFZSA-N
MW432.79 g/mol
LogP6.91
Rot. Bonds11

About [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate

[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate (PubChem CID 10884543) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate.

Molecular Properties

Compound Name[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate
PubChem CID10884543
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Name[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate
SMILESCC(=O)OCC[C@](C)(CO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O4Si2/c1-17(2)28(18(3)4,19(5)6)26-22(11,14-15-24-20(7)23)16-25-27(12,13)21(8,9)10/h17-19H,14-16H2,1-13H3/t22-/m1/s1
InChIKeyUOBXYGRXZBKNIF-JOCHJYFZSA-N
XLogP6.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide
CID 173390415
[2-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
CID 10544588
(5-acetyloxy-4-methyl-4-triethylsilyloxypentyl) acetate
CID 45278460
N-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]acetamide
CID 91697077
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
2-[8-[tert-butyl(dimethyl)silyl]oxyoctan-3-ylamino]ethyl acetate
CID 10904098
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 86629066
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-2-one
CID 99768812

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate?
The IUPAC name of [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate (CID 10884543) is [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate.
What is the SMILES notation for [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate?
The canonical SMILES for [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate is CC(=O)OCC[C@](C)(CO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate?
The InChIKey is UOBXYGRXZBKNIF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-17(2)28(18(3)4,19(5)6)26-22(11,14-15-24-20(7)23)16-25-27(12,13)21(8,9)10/h17-19H,14-16H2,1-13H3/t22-/m1/s1.
What are the key properties of [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate?
[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate has a molecular weight of 432.79 g/mol, XLogP of 6.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate is sourced from PubChem (CID 10884543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).