[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate

C14H30O3Si — CID 155648142

IUPAC[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate
SMILESCC(=O)OCCCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-12(10-8-9-11-16-13(2)15)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyFVUIKHUVFSSNMV-LBPRGKRZSA-N
MW274.48 g/mol
LogP4.13
Rot. Bonds7

About [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate

[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate (PubChem CID 155648142) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate.

Molecular Properties

Compound Name[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate
PubChem CID155648142
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate
SMILESCC(=O)OCCCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-12(10-8-9-11-16-13(2)15)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m0/s1
InChIKeyFVUIKHUVFSSNMV-LBPRGKRZSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate?
The IUPAC name of [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate (CID 155648142) is [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate.
What is the SMILES notation for [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate?
The canonical SMILES for [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate is CC(=O)OCCCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate?
The InChIKey is FVUIKHUVFSSNMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-12(10-8-9-11-16-13(2)15)17-18(6,7)14(3,4)5/h12H,8-11H2,1-7H3/t12-/m0/s1.
What are the key properties of [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate?
[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate has a molecular weight of 274.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexyl] acetate is sourced from PubChem (CID 155648142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).