(1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium

C37H59O11PSi2 — CID 142774474

IUPAC(1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium
SMILESCCOC(=O)C(C)OCO[P+]([O-])=CC=CCC(CC(C)=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C37H59O11PSi2/c1-12-43-35(38)28(4)47-25-48-49(41)20-14-13-15-29(36(39)45-19-22-51(9,10)11)23-26(2)16-17-30-33(42-5)27(3)31-24-46-37(40)32(31)34(30)44-18-21-50(6,7)8/h13-14,16,20,28-29H,12,15,17-19,21-25H2,1-11H3
InChIKeyZZTZRGWHBOOXNI-UHFFFAOYSA-N
MW767.01 g/mol
LogP7.13
Rot. Bonds22

About (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium

(1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium (PubChem CID 142774474) has the molecular formula C37H59O11PSi2 and a molecular weight of 767.01 g/mol. Its IUPAC name is (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium.

Molecular Properties

Compound Name(1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium
PubChem CID142774474
Molecular FormulaC37H59O11PSi2
Molecular Weight767.01 g/mol
Exact Mass766.33
IUPAC Name(1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium
SMILESCCOC(=O)C(C)OCO[P+]([O-])=CC=CCC(CC(C)=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C37H59O11PSi2/c1-12-43-35(38)28(4)47-25-48-49(41)20-14-13-15-29(36(39)45-19-22-51(9,10)11)23-26(2)16-17-30-33(42-5)27(3)31-24-46-37(40)32(31)34(30)44-18-21-50(6,7)8/h13-14,16,20,28-29H,12,15,17-19,21-25H2,1-11H3
InChIKeyZZTZRGWHBOOXNI-UHFFFAOYSA-N
XLogP7.13
TPSA138.88 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500767.01
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-carboxy-9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methylnona-2,7-dienylidene]-(hydroxymethoxy)-oxidophosphanium
CID 142774471
(2S)-2-[hydroxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienyl]phosphoryl]oxypropanoic acid
CID 90955590
2-trimethylsilylethyl (E)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
CID 142962335
[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-[2-[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]ethyl]phosphinic acid
CID 59794522
(E)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
CID 57459869
6-[(E)-3-hydroxybut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 142968539
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
6-[(2E)-3-acetylpenta-2,4-dienyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 58521382
2-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]acetaldehyde
CID 57478686
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
[6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methyl-2-(2-trimethylsilylethoxycarbonylsulfamoylamino)hex-4-enyl]phosphonic acid
CID 154432002
6-[(E)-4-diphenoxyphosphoryl-3-methylbut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 57459871

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium?
The IUPAC name of (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium (CID 142774474) is (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium.
What is the SMILES notation for (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium?
The canonical SMILES for (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium is CCOC(=O)C(C)OCO[P+]([O-])=CC=CCC(CC(C)=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium?
The InChIKey is ZZTZRGWHBOOXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H59O11PSi2/c1-12-43-35(38)28(4)47-25-48-49(41)20-14-13-15-29(36(39)45-19-22-51(9,10)11)23-26(2)16-17-30-33(42-5)27(3)31-24-46-37(40)32(31)34(30)44-18-21-50(6,7)8/h13-14,16,20,28-29H,12,15,17-19,21-25H2,1-11H3.
What are the key properties of (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium?
(1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium has a molecular weight of 767.01 g/mol, XLogP of 7.13, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopropan-2-yl)oxymethoxy-[9-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-7-methyl-5-(2-trimethylsilylethoxycarbonyl)nona-2,7-dienylidene]-oxidophosphanium is sourced from PubChem (CID 142774474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).