tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate

C18H40O4Si2 — CID 134996947

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)CC[Si](C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-17(2,3)21-16(20)15(14(19)12-13-23(7,8)9)22-24(10,11)18(4,5)6/h14-15,19H,12-13H2,1-11H3
InChIKeyCHSNEEFIKCSSAE-UHFFFAOYSA-N
MW376.69 g/mol
LogP4.81
Rot. Bonds7

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate (PubChem CID 134996947) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate
PubChem CID134996947
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)CC[Si](C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-17(2,3)21-16(20)15(14(19)12-13-23(7,8)9)22-24(10,11)18(4,5)6/h14-15,19H,12-13H2,1-11H3
InChIKeyCHSNEEFIKCSSAE-UHFFFAOYSA-N
XLogP4.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
CID 73042975
ethyl (2S,3R)-2-hydroxy-3-tri(propan-2-yl)silyloxybutanoate
CID 101061536
(Triethoxysilyl)propyl trimethylsilyl triethylene glycol ether
CID 132275845
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
CID 134996680
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutanoate
CID 134996684
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3,4-dimethylpentanoate
CID 135067868
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 135068104
ethyl (2S,3R)-2,6-dihydroxy-3-tri(propan-2-yl)silyloxyhexanoate
CID 145996482
[2-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
CID 10544588
[4-[[Hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
CID 19373866
[4-[[Hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
CID 19373867
[4-[[Decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
CID 19373868

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate (CID 134996947) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate is CC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)CC[Si](C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate?
The InChIKey is CHSNEEFIKCSSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-17(2,3)21-16(20)15(14(19)12-13-23(7,8)9)22-24(10,11)18(4,5)6/h14-15,19H,12-13H2,1-11H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate has a molecular weight of 376.69 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-trimethylsilylpentanoate is sourced from PubChem (CID 134996947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).