[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate

C13H28O4Si — CID 10978741

IUPAC[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate
SMILESCC(=O)O[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-11(15)17-12(8-7-9-14)10-16-18(5,6)13(2,3)4/h12,14H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyOOMUJLXBFJPIFG-LBPRGKRZSA-N
MW276.45 g/mol
LogP2.71
Rot. Bonds7

About [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate

[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate (PubChem CID 10978741) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate
PubChem CID10978741
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate
SMILESCC(=O)O[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-11(15)17-12(8-7-9-14)10-16-18(5,6)13(2,3)4/h12,14H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyOOMUJLXBFJPIFG-LBPRGKRZSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.71
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)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate?
The IUPAC name of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate (CID 10978741) is [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate?
The canonical SMILES for [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate is CC(=O)O[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate?
The InChIKey is OOMUJLXBFJPIFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-11(15)17-12(8-7-9-14)10-16-18(5,6)13(2,3)4/h12,14H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate?
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate has a molecular weight of 276.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate is sourced from PubChem (CID 10978741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).