tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane

C16H32O2Si — CID 54753894

IUPACtert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane
SMILESCCC1CCC(CC/C=C/O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O2Si/c1-7-14-11-12-15(18-14)10-8-9-13-17-19(5,6)16(2,3)4/h9,13-15H,7-8,10-12H2,1-6H3/b13-9+
InChIKeyNGCAYUCRSAQADH-UKTHLTGXSA-N
MW284.52 g/mol
LogP5.26
Rot. Bonds6

About tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane

tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane (PubChem CID 54753894) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane
PubChem CID54753894
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane
SMILESCCC1CCC(CC/C=C/O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O2Si/c1-7-14-11-12-15(18-14)10-8-9-13-17-19(5,6)16(2,3)4/h9,13-15H,7-8,10-12H2,1-6H3/b13-9+
InChIKeyNGCAYUCRSAQADH-UKTHLTGXSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
[(2S,5R)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25138560
[(E)-2-(5-dodecyloxolan-2-yl)ethenyl]-triethylsilane
CID 101544371
[(2R,5S)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134862792
tert-butyl-dimethyl-[(4S)-undec-1-en-4-yl]oxysilane
CID 135038122
tert-butyl-[(2S)-dodec-11-en-2-yl]oxy-dimethylsilane
CID 135039668
tert-butyl-dimethyl-[(2S)-non-8-en-2-yl]oxysilane
CID 135040998
3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
CID 162412726
1-Ethyl-1-(10-undecenyloxy)silolane
CID 568046
tert-butyl-dimethyl-[(2R,3S)-2-pent-4-enyloxan-3-yl]oxysilane
CID 10636839
Tert-butyl-dec-1-en-4-yloxy-dimethylsilane
CID 10825949
tert-butyl-[(2R)-heptadec-16-en-2-yl]oxy-dimethylsilane
CID 10959573

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane (CID 54753894) is tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane is CCC1CCC(CC/C=C/O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane?
The InChIKey is NGCAYUCRSAQADH-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-14-11-12-15(18-14)10-8-9-13-17-19(5,6)16(2,3)4/h9,13-15H,7-8,10-12H2,1-6H3/b13-9+.
What are the key properties of tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-(5-ethyloxolan-2-yl)but-1-enoxy]-dimethylsilane is sourced from PubChem (CID 54753894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).