tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane

C16H32O2Si — CID 11507488

IUPACtert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane
SMILESCC[C@H]1O[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)CC=C1C
InChIInChI=1S/C16H32O2Si/c1-9-14-12(2)10-11-15(17-14)13(3)18-19(7,8)16(4,5)6/h10,13-15H,9,11H2,1-8H3/t13-,14+,15+/m0/s1
InChIKeyPGIXQHLBZWGTGO-RRFJBIMHSA-N
MW284.52 g/mol
LogP4.91
Rot. Bonds4

About tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane (PubChem CID 11507488) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane
PubChem CID11507488
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane
SMILESCC[C@H]1O[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)CC=C1C
InChIInChI=1S/C16H32O2Si/c1-9-14-12(2)10-11-15(17-14)13(3)18-19(7,8)16(4,5)6/h10,13-15H,9,11H2,1-8H3/t13-,14+,15+/m0/s1
InChIKeyPGIXQHLBZWGTGO-RRFJBIMHSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(Z,2S,3S,4R)-2-methoxy-4,6-dimethyl-7-[(2Z)-3-(trifluoromethyl)hepta-2,6-dienoxy]hept-5-en-3-yl]oxy-dimethylsilane
CID 89935611
tert-butyl-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 89935614
tert-butyl-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 89945946
Tert-butyl-[2-[(5-fluorocyclohexa-1,4-dien-1-yl)methoxy]ethoxy]-dimethylsilane
CID 123907743
tert-butyl-[(3S,4S,5R,6Z)-3-methoxy-5,7-dimethyl-8-[(2Z)-3-(trifluoromethyl)hepta-2,6-dienoxy]octa-1,6-dien-4-yl]oxy-dimethylsilane
CID 140708869
tert-butyl-[[(3Z,5R,7S,8E,12E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 173664888
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[[(2S,5S)-5-tert-butyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11161923
tert-butyl-dimethyl-[(2,3,5-trimethyl-2H-furan-5-yl)methoxy]silane
CID 11253878
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
CID 11551386
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane (CID 11507488) is tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane is CC[C@H]1O[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)CC=C1C.
What is the InChIKey of tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane?
The InChIKey is PGIXQHLBZWGTGO-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-14-12(2)10-11-15(17-14)13(3)18-19(7,8)16(4,5)6/h10,13-15H,9,11H2,1-8H3/t13-,14+,15+/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11507488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).