2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane

C15H28OSi — CID 134992884

IUPAC2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane
SMILESCCCCC1(CCCC)OC1C#C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-6-8-11-15(12-9-7-2)14(16-15)10-13-17(3,4)5/h14H,6-9,11-12H2,1-5H3
InChIKeyUDOMRTBEZIAMET-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.39
Rot. Bonds6

About 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane

2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane (PubChem CID 134992884) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane
PubChem CID134992884
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane
SMILESCCCCC1(CCCC)OC1C#C[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-6-8-11-15(12-9-7-2)14(16-15)10-13-17(3,4)5/h14H,6-9,11-12H2,1-5H3
InChIKeyUDOMRTBEZIAMET-UHFFFAOYSA-N
XLogP4.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.39
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
CID 14321949
[(2R,3R)-3-butyl-3-ethyloxiran-2-yl]-trimethylsilane
CID 10750566
2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane
CID 10867900
Trimethyl-[2-(1-oxaspiro[2.5]octan-2-yl)ethynyl]silane
CID 10932696
1-[2-(Trimethylsilyl)ethynyl]-7-oxabicyclo[4.1.0]heptane
CID 11424116
trimethyl-[2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]ethynyl]silane
CID 134884571
trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane
CID 134884790
2,2-Dibutyl-3-ethynyloxirane
CID 134927849
Tert-butyl-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethynyl]silane
CID 164665085
2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane
CID 15649762
3-[(2R,3R)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane
CID 71623347
tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
CID 102078566

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane (CID 134992884) is 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane is CCCCC1(CCCC)OC1C#C[Si](C)(C)C.
What is the InChIKey of 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane?
The InChIKey is UDOMRTBEZIAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-6-8-11-15(12-9-7-2)14(16-15)10-13-17(3,4)5/h14H,6-9,11-12H2,1-5H3.
What are the key properties of 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane?
2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dibutyloxiran-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 134992884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).