[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate

C16H28O5Si — CID 101131965

IUPAC[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)OC1C=CC(=O)C(CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O5Si/c1-12(17)20-15-10-9-13(18)14(21-15)8-7-11-19-22(5,6)16(2,3)4/h9-10,14-15H,7-8,11H2,1-6H3
InChIKeyRVFHORVQPCESFB-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.20
Rot. Bonds6

About [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate

[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate (PubChem CID 101131965) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate.

Molecular Properties

Compound Name[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
PubChem CID101131965
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)OC1C=CC(=O)C(CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O5Si/c1-12(17)20-15-10-9-13(18)14(21-15)8-7-11-19-22(5,6)16(2,3)4/h9-10,14-15H,7-8,11H2,1-6H3
InChIKeyRVFHORVQPCESFB-UHFFFAOYSA-N
XLogP3.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate
CID 134844717
[1-acetyloxy-2,2-dimethyl-3-[(6S)-5-oxo-2H-pyran-6-yl]propyl] acetate
CID 15747723
(2S,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one
CID 10935824
(2R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyl-2H-pyran-5-one
CID 11646124
(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one
CID 11652159
(2R,6R)-2-(1-ethoxyethoxy)-6-(4-trimethylsilylbut-3-ynyl)-2H-pyran-5-one
CID 11781875
[1-acetyloxy-2-methyl-3-[(2S,6S)-2-methyl-5-oxo-2H-pyran-6-yl]propyl] acetate
CID 15747715
[(2S,6R)-6-(3,3-diacetyloxy-2-methylpropyl)-5-oxo-2H-pyran-2-yl]methyl acetate
CID 15747719
[1-acetyloxy-2-methyl-3-[(6S)-5-oxo-2H-pyran-6-yl]propyl] acetate
CID 15747727
[1-acetyloxy-2-methyl-3-[(6R)-5-oxo-2H-pyran-6-yl]propyl] acetate
CID 15747728
[1-acetyloxy-1,2-dideuterio-2-methyl-3-[(6R)-5-oxo-2H-pyran-6-yl]propyl] acetate
CID 15747729
[1-acetyloxy-2,2-dimethyl-3-(5-oxo-2H-pyran-6-yl)propyl] acetate
CID 21634779

Frequently Asked Questions

What is the IUPAC name of [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate?
The IUPAC name of [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate (CID 101131965) is [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate.
What is the SMILES notation for [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate?
The canonical SMILES for [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate is CC(=O)OC1C=CC(=O)C(CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate?
The InChIKey is RVFHORVQPCESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-12(17)20-15-10-9-13(18)14(21-15)8-7-11-19-22(5,6)16(2,3)4/h9-10,14-15H,7-8,11H2,1-6H3.
What are the key properties of [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate?
[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate has a molecular weight of 328.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate is sourced from PubChem (CID 101131965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).