methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate

C19H32O3Si — CID 132990795

IUPACmethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate
SMILESCOC(=O)C[C@@](C)(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-18(2,3)23(6,7)22-19(4,15-17(20)21-5)14-13-16-11-9-8-10-12-16/h8-12H,13-15H2,1-7H3/t19-/m1/s1
InChIKeyUBTBNVIHGSFLCM-LJQANCHMSA-N
MW336.55 g/mol
LogP4.96
Rot. Bonds7

About methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate (PubChem CID 132990795) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate
PubChem CID132990795
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Namemethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate
SMILESCOC(=O)C[C@@](C)(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-18(2,3)23(6,7)22-19(4,15-17(20)21-5)14-13-16-11-9-8-10-12-16/h8-12H,13-15H2,1-7H3/t19-/m1/s1
InChIKeyUBTBNVIHGSFLCM-LJQANCHMSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate (CID 132990795) is methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate is COC(=O)C[C@@](C)(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate?
The InChIKey is UBTBNVIHGSFLCM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-18(2,3)23(6,7)22-19(4,15-17(20)21-5)14-13-16-11-9-8-10-12-16/h8-12H,13-15H2,1-7H3/t19-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate?
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate has a molecular weight of 336.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenylpentanoate is sourced from PubChem (CID 132990795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).