[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate

C17H26O6Si — CID 91738957

IUPAC[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)O[Si](C)(C)C(C)(C)C)cc(OC)c1OC(C)=O
InChIInChI=1S/C17H26O6Si/c1-11(18)22-15-13(20-5)9-12(10-14(15)21-6)16(19)23-24(7,8)17(2,3)4/h9-10H,1-8H3
InChIKeyIKWIRZKMWBCKOP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.79
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate

[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate (PubChem CID 91738957) has the molecular formula C17H26O6Si and a molecular weight of 354.48 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
PubChem CID91738957
Molecular FormulaC17H26O6Si
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)O[Si](C)(C)C(C)(C)C)cc(OC)c1OC(C)=O
InChIInChI=1S/C17H26O6Si/c1-11(18)22-15-13(20-5)9-12(10-14(15)21-6)16(19)23-24(7,8)17(2,3)4/h9-10H,1-8H3
InChIKeyIKWIRZKMWBCKOP-UHFFFAOYSA-N
XLogP3.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate (CID 91738957) is [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate is COc1cc(C(=O)O[Si](C)(C)C(C)(C)C)cc(OC)c1OC(C)=O.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate?
The InChIKey is IKWIRZKMWBCKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O6Si/c1-11(18)22-15-13(20-5)9-12(10-14(15)21-6)16(19)23-24(7,8)17(2,3)4/h9-10H,1-8H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate?
[tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate has a molecular weight of 354.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-acetyloxy-3,5-dimethoxybenzoate is sourced from PubChem (CID 91738957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).