propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate

C16H34O3Si — CID 58567250

IUPACpropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
SMILESCC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-12(2)18-14(17)11-13(15(3,4)5)19-20(9,10)16(6,7)8/h12-13H,11H2,1-10H3/t13-/m1/s1
InChIKeyFYSJNNJSQCFSJI-CYBMUJFWSA-N
MW302.53 g/mol
LogP4.76
Rot. Bonds5

About propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate

propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate (PubChem CID 58567250) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
PubChem CID58567250
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Namepropan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate
SMILESCC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-12(2)18-14(17)11-13(15(3,4)5)19-20(9,10)16(6,7)8/h12-13H,11H2,1-10H3/t13-/m1/s1
InChIKeyFYSJNNJSQCFSJI-CYBMUJFWSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.76
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 propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate?
The IUPAC name of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate (CID 58567250) is propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate.
What is the SMILES notation for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate?
The canonical SMILES for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate is CC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate?
The InChIKey is FYSJNNJSQCFSJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-12(2)18-14(17)11-13(15(3,4)5)19-20(9,10)16(6,7)8/h12-13H,11H2,1-10H3/t13-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate?
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate has a molecular weight of 302.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentanoate is sourced from PubChem (CID 58567250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).