methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate

C24H34O6Si — CID 11015767

IUPACmethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate
SMILESCOCOc1ccccc1C(O)C(C(=O)OC)c1ccccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H34O6Si/c1-24(2,3)31(6,7)30-20-15-11-8-12-17(20)21(23(26)28-5)22(25)18-13-9-10-14-19(18)29-16-27-4/h8-15,21-22,25H,16H2,1-7H3
InChIKeyZVFCHWNCQZJFTJ-UHFFFAOYSA-N
MW446.62 g/mol
LogP5.04
Rot. Bonds9

About methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate

methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate (PubChem CID 11015767) has the molecular formula C24H34O6Si and a molecular weight of 446.62 g/mol. Its IUPAC name is methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate
PubChem CID11015767
Molecular FormulaC24H34O6Si
Molecular Weight446.62 g/mol
Exact Mass446.21
IUPAC Namemethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate
SMILESCOCOc1ccccc1C(O)C(C(=O)OC)c1ccccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H34O6Si/c1-24(2,3)31(6,7)30-20-15-11-8-12-17(20)21(23(26)28-5)22(25)18-13-9-10-14-19(18)29-16-27-4/h8-15,21-22,25H,16H2,1-7H3
InChIKeyZVFCHWNCQZJFTJ-UHFFFAOYSA-N
XLogP5.04
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
CID 135073993
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171864955
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
(2,6-dimethoxyphenyl)-[2-(methoxymethoxy)phenyl]methanol
CID 101068033
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 91742925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate?
The IUPAC name of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate (CID 11015767) is methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate is COCOc1ccccc1C(O)C(C(=O)OC)c1ccccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate?
The InChIKey is ZVFCHWNCQZJFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O6Si/c1-24(2,3)31(6,7)30-20-15-11-8-12-17(20)21(23(26)28-5)22(25)18-13-9-10-14-19(18)29-16-27-4/h8-15,21-22,25H,16H2,1-7H3.
What are the key properties of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate?
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate has a molecular weight of 446.62 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-3-[2-(methoxymethoxy)phenyl]propanoate is sourced from PubChem (CID 11015767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).