[(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane

C12H27BO2Si — CID 11459147

IUPAC[(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane
SMILESCC(C)OB(/C=C/C[Si](C)(C)C)OC(C)C
InChIInChI=1S/C12H27BO2Si/c1-11(2)14-13(15-12(3)4)9-8-10-16(5,6)7/h8-9,11-12H,10H2,1-7H3/b9-8+
InChIKeyFSRHYQXXIIHYPM-CMDGGOBGSA-N
MW242.24 g/mol
LogP3.76
Rot. Bonds7

About [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane

[(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane (PubChem CID 11459147) has the molecular formula C12H27BO2Si and a molecular weight of 242.24 g/mol. Its IUPAC name is [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane
PubChem CID11459147
Molecular FormulaC12H27BO2Si
Molecular Weight242.24 g/mol
Exact Mass242.19
IUPAC Name[(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane
SMILESCC(C)OB(/C=C/C[Si](C)(C)C)OC(C)C
InChIInChI=1S/C12H27BO2Si/c1-11(2)14-13(15-12(3)4)9-8-10-16(5,6)7/h8-9,11-12H,10H2,1-7H3/b9-8+
InChIKeyFSRHYQXXIIHYPM-CMDGGOBGSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane (CID 11459147) is [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane is CC(C)OB(/C=C/C[Si](C)(C)C)OC(C)C.
What is the InChIKey of [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane?
The InChIKey is FSRHYQXXIIHYPM-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H27BO2Si/c1-11(2)14-13(15-12(3)4)9-8-10-16(5,6)7/h8-9,11-12H,10H2,1-7H3/b9-8+.
What are the key properties of [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane?
[(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane has a molecular weight of 242.24 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-di(propan-2-yloxy)boranylprop-2-enyl]-trimethylsilane is sourced from PubChem (CID 11459147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).