[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate

C16H34O4Si — CID 14811571

IUPAC[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-15(2,3)14(18)19-12-10-13(9-11-17)20-21(7,8)16(4,5)6/h13,17H,9-12H2,1-8H3/t13-/m1/s1
InChIKeyFQTAHDDRQJYHQC-CYBMUJFWSA-N
MW318.53 g/mol
LogP3.74
Rot. Bonds7

About [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate

[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate (PubChem CID 14811571) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate
PubChem CID14811571
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-15(2,3)14(18)19-12-10-13(9-11-17)20-21(7,8)16(4,5)6/h13,17H,9-12H2,1-8H3/t13-/m1/s1
InChIKeyFQTAHDDRQJYHQC-CYBMUJFWSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.74
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-5-hydroxypentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate (CID 14811571) is [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC[C@@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate?
The InChIKey is FQTAHDDRQJYHQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-15(2,3)14(18)19-12-10-13(9-11-17)20-21(7,8)16(4,5)6/h13,17H,9-12H2,1-8H3/t13-/m1/s1.
What are the key properties of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate?
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] 2,2-dimethylpropanoate has a molecular weight of 318.53 g/mol, XLogP of 3.74, 7 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-5-hydroxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 14811571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).