methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate

C19H30O5Si — CID 160609080

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate
SMILESCOCC1(C)Oc2ccc(C(=O)OC)cc2C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O5Si/c1-18(2,3)25(7,8)24-16-14-11-13(17(20)22-6)9-10-15(14)23-19(16,4)12-21-5/h9-11,16H,12H2,1-8H3
InChIKeyRFGPQMGINVVVSL-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.33
Rot. Bonds5

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate (PubChem CID 160609080) has the molecular formula C19H30O5Si and a molecular weight of 366.53 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate
PubChem CID160609080
Molecular FormulaC19H30O5Si
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate
SMILESCOCC1(C)Oc2ccc(C(=O)OC)cc2C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O5Si/c1-18(2,3)25(7,8)24-16-14-11-13(17(20)22-6)9-10-15(14)23-19(16,4)12-21-5/h9-11,16H,12H2,1-8H3
InChIKeyRFGPQMGINVVVSL-UHFFFAOYSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate
CID 19888538
methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate
CID 67918023
methyl (1S,9S)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7386353
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
methyl (1R,9R)-10-ethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7246359
methyl (3R)-3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
CID 155905394
methyl (1S,10S,12R,17S)-9,9-dimethyl-8,14,18-trioxatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5-triene-4-carboxylate
CID 110160360
2,7-bis(methoxycarbonyl)-9H-xanthene-9-carboxylic acid
CID 23283091
methyl (3S,4R)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 57158233
methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
CID 22944033
methyl (1S,9R)-10-(4-methoxycarbonylphenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 51017554
dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
CID 138453798

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate (CID 160609080) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate is COCC1(C)Oc2ccc(C(=O)OC)cc2C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate?
The InChIKey is RFGPQMGINVVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5Si/c1-18(2,3)25(7,8)24-16-14-11-13(17(20)22-6)9-10-15(14)23-19(16,4)12-21-5/h9-11,16H,12H2,1-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate has a molecular weight of 366.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate is sourced from PubChem (CID 160609080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).