[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate

C19H32O7Si — CID 18541844

IUPAC[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate
SMILESCCO[Si](CCCc1cc(OC)c(OC)c(OC(C)=O)c1)(OCC)OCC
InChIInChI=1S/C19H32O7Si/c1-7-23-27(24-8-2,25-9-3)12-10-11-16-13-17(21-5)19(22-6)18(14-16)26-15(4)20/h13-14H,7-12H2,1-6H3
InChIKeyRVRMBZAPUYSXJA-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.61
Rot. Bonds13

About [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate

[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate (PubChem CID 18541844) has the molecular formula C19H32O7Si and a molecular weight of 400.54 g/mol. Its IUPAC name is [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate.

Molecular Properties

Compound Name[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate
PubChem CID18541844
Molecular FormulaC19H32O7Si
Molecular Weight400.54 g/mol
Exact Mass400.19
IUPAC Name[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate
SMILESCCO[Si](CCCc1cc(OC)c(OC)c(OC(C)=O)c1)(OCC)OCC
InChIInChI=1S/C19H32O7Si/c1-7-23-27(24-8-2,25-9-3)12-10-11-16-13-17(21-5)19(22-6)18(14-16)26-15(4)20/h13-14H,7-12H2,1-6H3
InChIKeyRVRMBZAPUYSXJA-UHFFFAOYSA-N
XLogP3.61
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate?
The IUPAC name of [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate (CID 18541844) is [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate.
What is the SMILES notation for [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate?
The canonical SMILES for [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate is CCO[Si](CCCc1cc(OC)c(OC)c(OC(C)=O)c1)(OCC)OCC.
What is the InChIKey of [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate?
The InChIKey is RVRMBZAPUYSXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O7Si/c1-7-23-27(24-8-2,25-9-3)12-10-11-16-13-17(21-5)19(22-6)18(14-16)26-15(4)20/h13-14H,7-12H2,1-6H3.
What are the key properties of [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate?
[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate has a molecular weight of 400.54 g/mol, XLogP of 3.61, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate is sourced from PubChem (CID 18541844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).