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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Related Compounds

6-[(E)-3-hydroxybut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 142968539
(E)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
CID 57459869
5-methoxy-4-methyl-6-[(E)-3-methyl-6-oxohept-2-enyl]-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one;2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde;thiourea
CID 161341274
4-[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]butanal
CID 142962638
6-[(2E)-3-acetylpenta-2,4-dienyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 58521382
6-[(E)-4-(3,3-dihydroxyoxiran-2-yl)-3-methylbut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 163708457
2-trimethylsilylethyl (E)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
CID 142962335
6-[(E)-4-diphenoxyphosphoryl-3-methylbut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 57459871
(E)-2-ethyl-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]but-3-enal
CID 123504024
3-diethoxyphosphoryl-5-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-propan-2-ylpent-3-enenitrile
CID 87927493
ethyl (Z)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-(trifluoromethyl)but-2-enoate;ethyl 3,3,3-trifluoro-2-oxopropanoate;2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde;5-methoxy-4-methyl-6-propyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one;5-methoxy-4-methyl-6-[(Z)-4,4,4-trifluoro-3-(hydroxymethyl)but-2-enyl]-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 161231798
6-ethenyl-5-hydroxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 59794616

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).