tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

C22H48O4Si2 — CID 156726772

IUPACtert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCC(CCC(=O)OC(C)(C)C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H48O4Si2/c1-18(14-15-19(23)26-20(2,3)4)16-24-28(13,22(8,9)10)17-25-27(11,12)21(5,6)7/h18H,14-17H2,1-13H3
InChIKeyDQTWFAIMBBSVPG-UHFFFAOYSA-N
MW432.79 g/mol
LogP6.70
Rot. Bonds9

About tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (PubChem CID 156726772) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
PubChem CID156726772
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Nametert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCC(CCC(=O)OC(C)(C)C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H48O4Si2/c1-18(14-15-19(23)26-20(2,3)4)16-24-28(13,22(8,9)10)17-25-27(11,12)21(5,6)7/h18H,14-17H2,1-13H3
InChIKeyDQTWFAIMBBSVPG-UHFFFAOYSA-N
XLogP6.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.70
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

methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
CID 87652886
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The IUPAC name of tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (CID 156726772) is tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.
What is the SMILES notation for tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The canonical SMILES for tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is CC(CCC(=O)OC(C)(C)C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The InChIKey is DQTWFAIMBBSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-18(14-15-19(23)26-20(2,3)4)16-24-28(13,22(8,9)10)17-25-27(11,12)21(5,6)7/h18H,14-17H2,1-13H3.
What are the key properties of tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate has a molecular weight of 432.79 g/mol, XLogP of 6.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is sourced from PubChem (CID 156726772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).