methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate

C18H30O4Si — CID 165005191

IUPACmethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
SMILESCCc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCC(=O)OC)c1
InChIInChI=1S/C18H30O4Si/c1-8-14-9-15(12-22-23(6,7)18(2,3)4)11-16(10-14)21-13-17(19)20-5/h9-11H,8,12-13H2,1-7H3
InChIKeyRZFUIZHXRRDXBN-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.32
Rot. Bonds7

About methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate

methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate (PubChem CID 165005191) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
PubChem CID165005191
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Namemethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
SMILESCCc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCC(=O)OC)c1
InChIInChI=1S/C18H30O4Si/c1-8-14-9-15(12-22-23(6,7)18(2,3)4)11-16(10-14)21-13-17(19)20-5/h9-11H,8,12-13H2,1-7H3
InChIKeyRZFUIZHXRRDXBN-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate
CID 147259528
tert-butyl 2-(3-ethyl-5-hydroxyphenoxy)acetate
CID 58944391
dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]benzene-1,3-dicarboxylate
CID 10963330
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
methyl 9-[[5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-N-methylanilino]-2,5-dioxopentyl]amino]-6,9-dioxononanoate
CID 158655950
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate;4-ethylphenol
CID 162188158
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-nitrophenyl]acetamide
CID 139075343
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 21029862

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate?
The IUPAC name of methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate (CID 165005191) is methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate is CCc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate?
The InChIKey is RZFUIZHXRRDXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-8-14-9-15(12-22-23(6,7)18(2,3)4)11-16(10-14)21-13-17(19)20-5/h9-11H,8,12-13H2,1-7H3.
What are the key properties of methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate?
methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate has a molecular weight of 338.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate is sourced from PubChem (CID 165005191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).