2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane

C12H20OSi — CID 12062493

IUPAC2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
SMILESC=CCC[C@@H]1O[C@]1(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-6-7-8-11-12(2,13-11)9-10-14(3,4)5/h6,11H,1,7-8H2,2-5H3/t11-,12+/m0/s1
InChIKeyPKQMHMWYVBBVKY-NWDGAFQWSA-N
MW208.38 g/mol
LogP2.99
Rot. Bonds3

About 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane

2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 12062493) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
PubChem CID12062493
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
SMILESC=CCC[C@@H]1O[C@]1(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-6-7-8-11-12(2,13-11)9-10-14(3,4)5/h6,11H,1,7-8H2,2-5H3/t11-,12+/m0/s1
InChIKeyPKQMHMWYVBBVKY-NWDGAFQWSA-N
XLogP2.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.99
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

(2R,3S)-3-but-3-enyl-2-hex-1-ynyl-2-methyloxirane
CID 12060646
2-(2-Butyl-3-ethenyloxiran-2-yl)ethynyl-trimethylsilane
CID 73834601
[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane
CID 135042463
[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane
CID 138983337
trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane
CID 10015304
3-Methoxyoct-7-en-1-ynyl(trimethyl)silane
CID 10082047
(2S,3R)-3-but-3-enyl-2-ethyl-2-hex-1-ynyloxirane
CID 16103750
trimethyl-[2-[(2S,3R)-3-(2-methylpent-4-en-2-yl)oxiran-2-yl]ethynyl]silane
CID 16103753
2-[(2S,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane
CID 21771016
2-[(2R,3S)-2-butyl-3-ethenyloxiran-2-yl]ethynyl-trimethylsilane
CID 21771017
2-[(2S,3R)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
CID 101261656

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane (CID 12062493) is 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane is C=CCC[C@@H]1O[C@]1(C)C#C[Si](C)(C)C.
What is the InChIKey of 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is PKQMHMWYVBBVKY-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20OSi/c1-6-7-8-11-12(2,13-11)9-10-14(3,4)5/h6,11H,1,7-8H2,2-5H3/t11-,12+/m0/s1.
What are the key properties of 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane?
2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 12062493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).