tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate

C19H34O6Si — CID 101454596

IUPACtert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@H]1C=CC(=O)[C@@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H34O6Si/c1-18(2,3)25-17(21)24-16-12-11-14(20)15(23-16)10-9-13-22-26(7,8)19(4,5)6/h11-12,15-16H,9-10,13H2,1-8H3/t15-,16+/m1/s1
InChIKeyADRMGJIDGLWTST-CVEARBPZSA-N
MW386.56 g/mol
LogP4.59
Rot. Bonds6

About tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate

tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate (PubChem CID 101454596) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
PubChem CID101454596
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Nametert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@H]1C=CC(=O)[C@@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H34O6Si/c1-18(2,3)25-17(21)24-16-12-11-14(20)15(23-16)10-9-13-22-26(7,8)19(4,5)6/h11-12,15-16H,9-10,13H2,1-8H3/t15-,16+/m1/s1
InChIKeyADRMGJIDGLWTST-CVEARBPZSA-N
XLogP4.59
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(6R)-5-oxo-6-[2-tri(propan-2-yl)silyloxyethyl]-2H-pyran-2-yl] acetate
CID 134844717
(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
tert-butyl [(2R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 24778249
[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
CID 101131965
3-[(2S,6S)-2-(2,2-dimethylpropanoyloxy)-5-oxo-2H-pyran-6-yl]propyl 2,2-dimethylpropanoate
CID 101452243
(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclohexyloxy-2H-pyran-5-one
CID 101759760
(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-cyclohexyloxy-2H-pyran-5-one
CID 101759761
(2R,6S)-2-[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexoxy]-6-methyl-2H-pyran-5-one
CID 101766939

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate?
The IUPAC name of tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate (CID 101454596) is tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate?
The canonical SMILES for tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate is CC(C)(C)OC(=O)O[C@H]1C=CC(=O)[C@@H](CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate?
The InChIKey is ADRMGJIDGLWTST-CVEARBPZSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-18(2,3)25-17(21)24-16-12-11-14(20)15(23-16)10-9-13-22-26(7,8)19(4,5)6/h11-12,15-16H,9-10,13H2,1-8H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate?
tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate has a molecular weight of 386.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate is sourced from PubChem (CID 101454596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).