ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate

C18H28O5Si — CID 176630796

IUPACethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cc(OC)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H28O5Si/c1-8-22-17(20)12-16(19)13-9-14(21-5)11-15(10-13)23-24(6,7)18(2,3)4/h9-11H,8,12H2,1-7H3
InChIKeyBMELUPPYHWDQMH-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.22
Rot. Bonds7

About ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate

ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate (PubChem CID 176630796) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate
PubChem CID176630796
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Nameethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cc(OC)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H28O5Si/c1-8-22-17(20)12-16(19)13-9-14(21-5)11-15(10-13)23-24(6,7)18(2,3)4/h9-11H,8,12H2,1-7H3
InChIKeyBMELUPPYHWDQMH-UHFFFAOYSA-N
XLogP4.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]acetate
CID 11258393
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
CID 134957452
1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 129319908
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxopropanoate
CID 22308842
ethyl 4-[3-[tert-butyl(dimethyl)silyl]oxy-5-decoxyphenyl]-3,5-dimethoxybenzoate
CID 23657586
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate (CID 176630796) is ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate is CCOC(=O)CC(=O)c1cc(OC)cc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate?
The InChIKey is BMELUPPYHWDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5Si/c1-8-22-17(20)12-16(19)13-9-14(21-5)11-15(10-13)23-24(6,7)18(2,3)4/h9-11H,8,12H2,1-7H3.
What are the key properties of ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate?
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate has a molecular weight of 352.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-3-oxopropanoate is sourced from PubChem (CID 176630796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).