[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate

C17H26O5Si — CID 91737540

IUPAC[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1OC(C)=O
InChIInChI=1S/C17H26O5Si/c1-12(18)21-15-10-13(8-9-14(15)20-5)11-16(19)22-23(6,7)17(2,3)4/h8-10H,11H2,1-7H3
InChIKeyIFXNQRGZRVXZIP-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.71
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate

[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate (PubChem CID 91737540) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
PubChem CID91737540
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1OC(C)=O
InChIInChI=1S/C17H26O5Si/c1-12(18)21-15-10-13(8-9-14(15)20-5)11-16(19)22-23(6,7)17(2,3)4/h8-10H,11H2,1-7H3
InChIKeyIFXNQRGZRVXZIP-UHFFFAOYSA-N
XLogP3.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate
CID 6429910
[5-(cyanomethyl)-2-methoxyphenyl] acetate
CID 11052761
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
CID 91738957
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
[2-acetyloxy-4-[2-(methylamino)-2-oxoethyl]phenyl] acetate
CID 139641556
[(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-1-enyl] acetate
CID 10422217
methyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]acetate
CID 139995151
methyl (2R)-2-acetamido-3-(3-acetyloxy-4-methoxyphenyl)propanoate
CID 11565804
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate (CID 91737540) is [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate is COc1ccc(CC(=O)O[Si](C)(C)C(C)(C)C)cc1OC(C)=O.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate?
The InChIKey is IFXNQRGZRVXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-12(18)21-15-10-13(8-9-14(15)20-5)11-16(19)22-23(6,7)17(2,3)4/h8-10H,11H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate?
[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate has a molecular weight of 338.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate is sourced from PubChem (CID 91737540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).