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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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).