2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane

C13H22OSi — CID 21771016

IUPAC2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane
SMILESCCCC[C@@]1([C@@H](O1)C=C)C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-6-8-9-13(12(7-2)14-13)10-11-15(3,4)5/h7,12H,2,6,8-9H2,1,3-5H3/t12-,13-/m0/s1
InChIKeyZLQNJVQETVRUKH-STQMWFEESA-N
MW222.40 g/mol
LogP—
Rot. Bonds6

About 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane

2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 21771016) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane
PubChem CID21771016
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane
SMILESCCCC[C@@]1([C@@H](O1)C=C)C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-6-8-9-13(12(7-2)14-13)10-11-15(3,4)5/h7,12H,2,6,8-9H2,1,3-5H3/t12-,13-/m0/s1
InChIKeyZLQNJVQETVRUKH-STQMWFEESA-N
XLogP—
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity301

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
CID 12062493
2-(2-Butyl-3-ethenyloxiran-2-yl)ethynyl-trimethylsilane
CID 73834601
2-Butyl-3-ethenyl-2-ethynyloxirane
CID 73834603
Trimethyl-[2-(2-methyl-3-prop-1-en-2-yloxiran-2-yl)ethynyl]silane
CID 134863895
2-(3-Ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane
CID 134885868
[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane
CID 134928457
[(E)-2-(3-butyl-2-propyloxiran-2-yl)ethenyl]-trimethylsilane
CID 59875230
2-(3-Butyl-2-propyloxiran-2-yl)ethenyl-trimethylsilane
CID 72584926
[(E)-2-[(2S,3R)-3-butyl-2-propyloxiran-2-yl]ethenyl]-trimethylsilane
CID 10490256
2-[(2R,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane
CID 21771017
(2S,3S)-2-butyl-3-ethenyl-2-ethynyloxirane
CID 21771020
(2R,3S)-2-butyl-3-ethenyl-2-ethynyloxirane
CID 21771021

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane (CID 21771016) is 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane is CCCC[C@@]1([C@@H](O1)C=C)C#C[Si](C)(C)C.
What is the InChIKey of 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is ZLQNJVQETVRUKH-STQMWFEESA-N. The full InChI is InChI=1S/C13H22OSi/c1-6-8-9-13(12(7-2)14-13)10-11-15(3,4)5/h7,12H,2,6,8-9H2,1,3-5H3/t12-,13-/m0/s1.
What are the key properties of 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane?
2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of not available, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 21771016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).