[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate

C13H28O4Si — CID 11437354

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

About [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate

[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate (PubChem CID 11437354) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate.

Molecular Properties

Compound Name[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate
PubChem CID11437354
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate
SMILESCC(=O)OCCC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-11(14)16-9-7-8-12(15)10-17-18(5,6)13(2,3)4/h12,15H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyKAMLODBUJMNSNG-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate?
The IUPAC name of [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate (CID 11437354) is [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate.
What is the SMILES notation for [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate?
The canonical SMILES for [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate is CC(=O)OCCC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate?
The InChIKey is KAMLODBUJMNSNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-11(14)16-9-7-8-12(15)10-17-18(5,6)13(2,3)4/h12,15H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate?
[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] 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 [(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate is sourced from PubChem (CID 11437354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).