1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate

C16H32O5Si — CID 91394695

IUPAC1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-15(2,3)20-14(18)12(10-11-13(17)19-7)21-22(8,9)16(4,5)6/h12H,10-11H2,1-9H3
InChIKeyVGLCURJVYDWRGJ-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.67
Rot. Bonds6

About 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate

1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 91394695) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID91394695
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-15(2,3)20-14(18)12(10-11-13(17)19-7)21-22(8,9)16(4,5)6/h12H,10-11H2,1-9H3
InChIKeyVGLCURJVYDWRGJ-UHFFFAOYSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyglutarate, TBDMS
CID 634802
1-Ethyl 5-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91713346
5-Ethyl 1-(trimethylsilyl) 2-((trimethylsilyl)oxy)pentanedioate
CID 91733270
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, dimethyl ester
CID 553342
3-[Hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527398
3-Trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527399
dibutyl (2R,3R)-2,3-bis(trimethylsilyloxy)pentanedioate
CID 54114843
4-[Tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
CID 74943933
Diethyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 87206553
Dimethyl 2-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]oxypentanedioate
CID 87206560
Bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate
CID 88550523
1-O-tert-butyl 5-O-methyl 2,2-bis(methylsilyloxy)pentanedioate
CID 123375883

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 91394695) is 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate is COC(=O)CCC(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is VGLCURJVYDWRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-15(2,3)20-14(18)12(10-11-13(17)19-7)21-22(8,9)16(4,5)6/h12H,10-11H2,1-9H3.
What are the key properties of 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate?
1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 332.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-methyl 2-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 91394695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).