[(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane

C11H25BO2Si — CID 5375555

IUPAC[(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane
SMILESCCB(OC)/C(CC)=C(/C)[Si](C)(C)OC
InChIInChI=1S/C11H25BO2Si/c1-8-11(12(9-2)13-4)10(3)15(6,7)14-5/h8-9H2,1-7H3/b11-10-
InChIKeyQGKKYGQLKCJWSC-KHPPLWFESA-N
MW228.22 g/mol
LogP3.30
Rot. Bonds6

About [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane

[(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane (PubChem CID 5375555) has the molecular formula C11H25BO2Si and a molecular weight of 228.22 g/mol. Its IUPAC name is [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane
PubChem CID5375555
Molecular FormulaC11H25BO2Si
Molecular Weight228.22 g/mol
Exact Mass228.17
IUPAC Name[(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane
SMILESCCB(OC)/C(CC)=C(/C)[Si](C)(C)OC
InChIInChI=1S/C11H25BO2Si/c1-8-11(12(9-2)13-4)10(3)15(6,7)14-5/h8-9H2,1-7H3/b11-10-
InChIKeyQGKKYGQLKCJWSC-KHPPLWFESA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.30
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-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane?
The IUPAC name of [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane (CID 5375555) is [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane.
What is the SMILES notation for [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane?
The canonical SMILES for [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane is CCB(OC)/C(CC)=C(/C)[Si](C)(C)OC.
What is the InChIKey of [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane?
The InChIKey is QGKKYGQLKCJWSC-KHPPLWFESA-N. The full InChI is InChI=1S/C11H25BO2Si/c1-8-11(12(9-2)13-4)10(3)15(6,7)14-5/h8-9H2,1-7H3/b11-10-.
What are the key properties of [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane?
[(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane has a molecular weight of 228.22 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[ethyl(methoxy)boranyl]pent-2-en-2-yl]-methoxy-dimethylsilane is sourced from PubChem (CID 5375555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).