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

C13H28OSi2 — CID 10015304

IUPACtrimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane
SMILESCC1(CC(/C=C/[Si](C)(C)C)[Si](C)(C)C)CO1
InChIInChI=1S/C13H28OSi2/c1-13(11-14-13)10-12(16(5,6)7)8-9-15(2,3)4/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKeyCRAYZCLIDGKMLH-CMDGGOBGSA-N
MW256.54 g/mol
LogP4.31
Rot. Bonds5

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

trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane (PubChem CID 10015304) has the molecular formula C13H28OSi2 and a molecular weight of 256.54 g/mol. Its IUPAC name is trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane
PubChem CID10015304
Molecular FormulaC13H28OSi2
Molecular Weight256.54 g/mol
Exact Mass256.17
IUPAC Nametrimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane
SMILESCC1(CC(/C=C/[Si](C)(C)C)[Si](C)(C)C)CO1
InChIInChI=1S/C13H28OSi2/c1-13(11-14-13)10-12(16(5,6)7)8-9-15(2,3)4/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKeyCRAYZCLIDGKMLH-CMDGGOBGSA-N
XLogP4.31
TPSA12.53 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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane?
The IUPAC name of trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane (CID 10015304) is trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane?
The canonical SMILES for trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane is CC1(CC(/C=C/[Si](C)(C)C)[Si](C)(C)C)CO1.
What is the InChIKey of trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane?
The InChIKey is CRAYZCLIDGKMLH-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H28OSi2/c1-13(11-14-13)10-12(16(5,6)7)8-9-15(2,3)4/h8-9,12H,10-11H2,1-7H3/b9-8+.
What are the key properties of trimethyl-[(E)-1-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane?
trimethyl-[(E)-1-(2-methyloxiran-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-(2-methyloxiran-2-yl)-4-trimethylsilylbut-3-en-2-yl]silane is sourced from PubChem (CID 10015304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).