[(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid

C13H29BO2Si — CID 134904060

IUPAC[(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid
SMILESC/C(=C/C[Si](C(C)C)(C(C)C)C(C)C)B(O)O
InChIInChI=1S/C13H29BO2Si/c1-10(2)17(11(3)4,12(5)6)9-8-13(7)14(15)16/h8,10-12,15-16H,9H2,1-7H3/b13-8-
InChIKeyVJYWYDSQPYMSQS-JYRVWZFOSA-N
MW256.27 g/mol
LogP3.62
Rot. Bonds6

About [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid

[(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid (PubChem CID 134904060) has the molecular formula C13H29BO2Si and a molecular weight of 256.27 g/mol. Its IUPAC name is [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid.

Molecular Properties

Compound Name[(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid
PubChem CID134904060
Molecular FormulaC13H29BO2Si
Molecular Weight256.27 g/mol
Exact Mass256.20
IUPAC Name[(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid
SMILESC/C(=C/C[Si](C(C)C)(C(C)C)C(C)C)B(O)O
InChIInChI=1S/C13H29BO2Si/c1-10(2)17(11(3)4,12(5)6)9-8-13(7)14(15)16/h8,10-12,15-16H,9H2,1-7H3/b13-8-
InChIKeyVJYWYDSQPYMSQS-JYRVWZFOSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
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)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid?
The IUPAC name of [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid (CID 134904060) is [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid.
What is the SMILES notation for [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid?
The canonical SMILES for [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid is C/C(=C/C[Si](C(C)C)(C(C)C)C(C)C)B(O)O.
What is the InChIKey of [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid?
The InChIKey is VJYWYDSQPYMSQS-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H29BO2Si/c1-10(2)17(11(3)4,12(5)6)9-8-13(7)14(15)16/h8,10-12,15-16H,9H2,1-7H3/b13-8-.
What are the key properties of [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid?
[(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid has a molecular weight of 256.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-tri(propan-2-yl)silylbut-2-en-2-yl]boronic acid is sourced from PubChem (CID 134904060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).