trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane

C13H28OSi2 — CID 135037289

IUPACtrimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane
SMILESC[Si](C)(C)/C=C/C(C[C@@H]1CCO1)[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-15(2,3)10-8-13(16(4,5)6)11-12-7-9-14-12/h8,10,12-13H,7,9,11H2,1-6H3/b10-8+/t12-,13?/m0/s1
InChIKeyBKMUUFDHCSYTHQ-AYRBRVAXSA-N
MW256.54 g/mol
LogP4.31
Rot. Bonds5

About trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane

trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane (PubChem CID 135037289) has the molecular formula C13H28OSi2 and a molecular weight of 256.54 g/mol. Its IUPAC name is trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane
PubChem CID135037289
Molecular FormulaC13H28OSi2
Molecular Weight256.54 g/mol
Exact Mass256.17
IUPAC Nametrimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane
SMILESC[Si](C)(C)/C=C/C(C[C@@H]1CCO1)[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-15(2,3)10-8-13(16(4,5)6)11-12-7-9-14-12/h8,10,12-13H,7,9,11H2,1-6H3/b10-8+/t12-,13?/m0/s1
InChIKeyBKMUUFDHCSYTHQ-AYRBRVAXSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

fluoro-dimethyl-[(1S)-1-[(2S)-pent-4-en-2-yl]oxyhexyl]silane
CID 10848054
Trimethyl(1-pent-4-en-2-yloxyhexyl)silane
CID 9991984
trimethyl-[(1S)-1-[(2S)-pent-4-en-2-yl]oxyhexyl]silane
CID 10586281
dimethyl-[(1S)-1-[(2S)-pent-4-en-2-yl]oxyhexyl]-trimethylsilyloxysilane
CID 10734226
trimethyl-[(1R)-1-[(2R)-pent-4-en-2-yl]oxyhexyl]silane
CID 101697764
trimethyl-[(E)-1-(oxolan-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane
CID 102520238

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane?
The IUPAC name of trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane (CID 135037289) is trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane?
The canonical SMILES for trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane is C[Si](C)(C)/C=C/C(C[C@@H]1CCO1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane?
The InChIKey is BKMUUFDHCSYTHQ-AYRBRVAXSA-N. The full InChI is InChI=1S/C13H28OSi2/c1-15(2,3)10-8-13(16(4,5)6)11-12-7-9-14-12/h8,10,12-13H,7,9,11H2,1-6H3/b10-8+/t12-,13?/m0/s1.
What are the key properties of trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane?
trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane has a molecular weight of 256.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-[(2S)-oxetan-2-yl]-4-trimethylsilylbut-3-en-2-yl]silane is sourced from PubChem (CID 135037289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).