(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C16H32O5Si — CID 87206557

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-11(14(19)20-15(2,3)4)12(10-13(17)18)21-22(8,9)16(5,6)7/h11-12H,10H2,1-9H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyMGJVKWSKSWXFED-PIJUOVFKSA-N
MW332.51 g/mol
LogP3.83
Rot. Bonds6

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 87206557) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID87206557
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-11(14(19)20-15(2,3)4)12(10-13(17)18)21-22(8,9)16(5,6)7/h11-12H,10H2,1-9H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyMGJVKWSKSWXFED-PIJUOVFKSA-N
XLogP3.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 87206557) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is MGJVKWSKSWXFED-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-11(14(19)20-15(2,3)4)12(10-13(17)18)21-22(8,9)16(5,6)7/h11-12H,10H2,1-9H3,(H,17,18)/t11?,12-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 332.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 87206557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).