[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane

C14H28OSi — CID 10490256

IUPAC[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane
SMILESCCCC[C@H]1O[C@]1(/C=C/[Si](C)(C)C)CCC
InChIInChI=1S/C14H28OSi/c1-6-8-9-13-14(15-13,10-7-2)11-12-16(3,4)5/h11-13H,6-10H2,1-5H3/b12-11+/t13-,14+/m1/s1
InChIKeyHFKCARCIABVKLE-WLDGIZNKSA-N
MW240.46 g/mol
LogP4.55
Rot. Bonds7

About [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane

[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane (PubChem CID 10490256) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane
PubChem CID10490256
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane
SMILESCCCC[C@H]1O[C@]1(/C=C/[Si](C)(C)C)CCC
InChIInChI=1S/C14H28OSi/c1-6-8-9-13-14(15-13,10-7-2)11-12-16(3,4)5/h11-13H,6-10H2,1-5H3/b12-11+/t13-,14+/m1/s1
InChIKeyHFKCARCIABVKLE-WLDGIZNKSA-N
XLogP4.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-Vinyl-13-oxabicyclo[10.1.0]tridecane
CID 5073938
[(E)-2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethenyl]-trimethylsilane
CID 10487752
[(E)-2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethenyl]-trimethylsilane
CID 11085456
[(E)-2-[(2R,3R)-3-cyclohexyloxiran-2-yl]ethenyl]-trimethylsilane
CID 11831083
2-(2-Butyl-3-ethenyloxiran-2-yl)ethynyl-trimethylsilane
CID 73834601
[(2R)-1-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpentan-2-yl]oxy-tri(propan-2-yl)silane
CID 134864246
(3R)-2,2-dibutyl-3-ethenyloxirane
CID 154719468
cis-1-Vinyl-13-oxabicyclo[10.1.0]tridecane
CID 11183399
trans-1-Vinyl-13-oxabicyclo[10.1.0]tridecane
CID 11287251
(1S,12S)-1-ethenyl-13-oxabicyclo[10.1.0]tridecane
CID 12073526
2,2-Dibutyl-3-ethenyloxirane
CID 13003619
[(E)-2-(3-butyl-2-propyloxiran-2-yl)ethenyl]-trimethylsilane
CID 59875230

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane?
The IUPAC name of [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane (CID 10490256) is [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane?
The canonical SMILES for [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane is CCCC[C@H]1O[C@]1(/C=C/[Si](C)(C)C)CCC.
What is the InChIKey of [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane?
The InChIKey is HFKCARCIABVKLE-WLDGIZNKSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-8-9-13-14(15-13,10-7-2)11-12-16(3,4)5/h11-13H,6-10H2,1-5H3/b12-11+/t13-,14+/m1/s1.
What are the key properties of [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane?
[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane is sourced from PubChem (CID 10490256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).