2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde

C17H24O5Si — CID 57478686

IUPAC2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde
SMILESCOc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=O)C(=O)OC2
InChIInChI=1S/C17H24O5Si/c1-11-13-10-22-17(19)14(13)16(21-8-9-23(3,4)5)12(6-7-18)15(11)20-2/h7H,6,8-10H2,1-5H3
InChIKeyNRLFBOWBOJPNON-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.13
Rot. Bonds7

About 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde

2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde (PubChem CID 57478686) has the molecular formula C17H24O5Si and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde
PubChem CID57478686
Molecular FormulaC17H24O5Si
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde
SMILESCOc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=O)C(=O)OC2
InChIInChI=1S/C17H24O5Si/c1-11-13-10-22-17(19)14(13)16(21-8-9-23(3,4)5)12(6-7-18)15(11)20-2/h7H,6,8-10H2,1-5H3
InChIKeyNRLFBOWBOJPNON-UHFFFAOYSA-N
XLogP3.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde?
The IUPAC name of 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde (CID 57478686) is 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde.
What is the SMILES notation for 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde?
The canonical SMILES for 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde is COc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=O)C(=O)OC2.
What is the InChIKey of 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde?
The InChIKey is NRLFBOWBOJPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5Si/c1-11-13-10-22-17(19)14(13)16(21-8-9-23(3,4)5)12(6-7-18)15(11)20-2/h7H,6,8-10H2,1-5H3.
What are the key properties of 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde?
2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde has a molecular weight of 336.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde is sourced from PubChem (CID 57478686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).