1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone

C23H34O2Si — CID 44632264

IUPAC1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CC(C)(CC#C[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C23H34O2Si/c1-16(2)26(17(3)4,18(5)6)13-9-12-23(8)15-21-14-20(19(7)24)10-11-22(21)25-23/h10-11,14,16-18H,12,15H2,1-8H3
InChIKeyYSAOBYOGHWSDEI-UHFFFAOYSA-N
MW370.61 g/mol
LogP6.19
Rot. Bonds5

About 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone

1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone (PubChem CID 44632264) has the molecular formula C23H34O2Si and a molecular weight of 370.61 g/mol. Its IUPAC name is 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone
PubChem CID44632264
Molecular FormulaC23H34O2Si
Molecular Weight370.61 g/mol
Exact Mass370.23
IUPAC Name1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CC(C)(CC#C[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C23H34O2Si/c1-16(2)26(17(3)4,18(5)6)13-9-12-23(8)15-21-14-20(19(7)24)10-11-22(21)25-23/h10-11,14,16-18H,12,15H2,1-8H3
InChIKeyYSAOBYOGHWSDEI-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone (CID 44632264) is 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone is CC(=O)c1ccc2c(c1)CC(C)(CC#C[Si](C(C)C)(C(C)C)C(C)C)O2.
What is the InChIKey of 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone?
The InChIKey is YSAOBYOGHWSDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2Si/c1-16(2)26(17(3)4,18(5)6)13-9-12-23(8)15-21-14-20(19(7)24)10-11-22(21)25-23/h10-11,14,16-18H,12,15H2,1-8H3.
What are the key properties of 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone?
1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone has a molecular weight of 370.61 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]-3H-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 44632264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).