[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate

C15H32O4Si — CID 10913746

IUPAC[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate
SMILESCC(=O)OC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO
InChIInChI=1S/C15H32O4Si/c1-11(9-16)14(12(2)10-18-13(3)17)19-20(7,8)15(4,5)6/h11-12,14,16H,9-10H2,1-8H3/t11-,12+,14-/m1/s1
InChIKeyMEHDIGFBCQHONT-MBNYWOFBSA-N
MW304.50 g/mol
LogP3.20
Rot. Bonds7

About [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate

[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate (PubChem CID 10913746) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate
PubChem CID10913746
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate
SMILESCC(=O)OC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO
InChIInChI=1S/C15H32O4Si/c1-11(9-16)14(12(2)10-18-13(3)17)19-20(7,8)15(4,5)6/h11-12,14,16H,9-10H2,1-8H3/t11-,12+,14-/m1/s1
InChIKeyMEHDIGFBCQHONT-MBNYWOFBSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.20
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 [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate?
The IUPAC name of [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate (CID 10913746) is [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate.
What is the SMILES notation for [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate?
The canonical SMILES for [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate is CC(=O)OC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO.
What is the InChIKey of [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate?
The InChIKey is MEHDIGFBCQHONT-MBNYWOFBSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-11(9-16)14(12(2)10-18-13(3)17)19-20(7,8)15(4,5)6/h11-12,14,16H,9-10H2,1-8H3/t11-,12+,14-/m1/s1.
What are the key properties of [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate?
[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate has a molecular weight of 304.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate is sourced from PubChem (CID 10913746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).