[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane

C15H30O2Si — CID 10564007

IUPAC[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H](/C=C/C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C15H30O2Si/c1-7-18(8-2,9-3)17-13(14-12-16-14)10-11-15(4,5)6/h10-11,13-14H,7-9,12H2,1-6H3/b11-10+/t13-,14+/m1/s1
InChIKeyJRPRFUIVUNBRLJ-ZICGXABRSA-N
MW270.49 g/mol
LogP4.38
Rot. Bonds7

About [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane

[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane (PubChem CID 10564007) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane
PubChem CID10564007
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H](/C=C/C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C15H30O2Si/c1-7-18(8-2,9-3)17-13(14-12-16-14)10-11-15(4,5)6/h10-11,13-14H,7-9,12H2,1-6H3/b11-10+/t13-,14+/m1/s1
InChIKeyJRPRFUIVUNBRLJ-ZICGXABRSA-N
XLogP4.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.38
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
CID 14633649
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
trimethyl-[(1R)-1-[(2S)-oxiran-2-yl]prop-2-enoxy]silane
CID 134863495
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876
trimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 10866807
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 10976828
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-enoxy]silane
CID 57626503
tert-butyl-dimethyl-[(E)-5-(oxiran-2-yl)pent-2-enoxy]silane
CID 58906890
Tert-butyl-dimethyl-[5-(oxiran-2-yl)pent-2-enoxy]silane
CID 72458961
tert-butyl-dimethyl-[(1S)-1-(oxiran-2-yl)prop-2-enoxy]silane
CID 89628796

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane?
The IUPAC name of [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane (CID 10564007) is [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane.
What is the SMILES notation for [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane?
The canonical SMILES for [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane is CC[Si](CC)(CC)O[C@H](/C=C/C(C)(C)C)[C@@H]1CO1.
What is the InChIKey of [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane?
The InChIKey is JRPRFUIVUNBRLJ-ZICGXABRSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-18(8-2,9-3)17-13(14-12-16-14)10-11-15(4,5)6/h10-11,13-14H,7-9,12H2,1-6H3/b11-10+/t13-,14+/m1/s1.
What are the key properties of [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane?
[(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-4,4-dimethyl-1-[(2S)-oxiran-2-yl]pent-2-enoxy]-triethylsilane is sourced from PubChem (CID 10564007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).