[(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate

C15H32O3Si — CID 12070742

IUPAC[(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
SMILESCC(=O)OC[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-12(10-17-14(3)16)9-13(2)11-18-19(7,8)15(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyILCNVWRNSJYHEX-QWHCGFSZSA-N
MW288.50 g/mol
LogP4.23
Rot. Bonds7

About [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate

[(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate (PubChem CID 12070742) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate.

Molecular Properties

Compound Name[(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
PubChem CID12070742
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name[(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
SMILESCC(=O)OC[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-12(10-17-14(3)16)9-13(2)11-18-19(7,8)15(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyILCNVWRNSJYHEX-QWHCGFSZSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.23
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 [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
The IUPAC name of [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate (CID 12070742) is [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate.
What is the SMILES notation for [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
The canonical SMILES for [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate is CC(=O)OC[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
The InChIKey is ILCNVWRNSJYHEX-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-12(10-17-14(3)16)9-13(2)11-18-19(7,8)15(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
[(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate has a molecular weight of 288.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate is sourced from PubChem (CID 12070742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).