ethyl acetate;trimethoxy(phenyl)silane

C13H22O5Si — CID 175137156

IUPACethyl acetate;trimethoxy(phenyl)silane
SMILESCCOC(C)=O.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C9H14O3Si.C4H8O2/c1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-3-6-4(2)5/h4-8H,1-3H3;3H2,1-2H3
InChIKeyIYHVWBHNPIYOKI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.34
Rot. Bonds5

About ethyl acetate;trimethoxy(phenyl)silane

ethyl acetate;trimethoxy(phenyl)silane (PubChem CID 175137156) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl acetate;trimethoxy(phenyl)silane.

Molecular Properties

Compound Nameethyl acetate;trimethoxy(phenyl)silane
PubChem CID175137156
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Nameethyl acetate;trimethoxy(phenyl)silane
SMILESCCOC(C)=O.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C9H14O3Si.C4H8O2/c1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-3-6-4(2)5/h4-8H,1-3H3;3H2,1-2H3
InChIKeyIYHVWBHNPIYOKI-UHFFFAOYSA-N
XLogP1.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;trimethoxy(phenyl)silane?
The IUPAC name of ethyl acetate;trimethoxy(phenyl)silane (CID 175137156) is ethyl acetate;trimethoxy(phenyl)silane.
What is the SMILES notation for ethyl acetate;trimethoxy(phenyl)silane?
The canonical SMILES for ethyl acetate;trimethoxy(phenyl)silane is CCOC(C)=O.CO[Si](OC)(OC)c1ccccc1.
What is the InChIKey of ethyl acetate;trimethoxy(phenyl)silane?
The InChIKey is IYHVWBHNPIYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3Si.C4H8O2/c1-10-13(11-2,12-3)9-7-5-4-6-8-9;1-3-6-4(2)5/h4-8H,1-3H3;3H2,1-2H3.
What are the key properties of ethyl acetate;trimethoxy(phenyl)silane?
ethyl acetate;trimethoxy(phenyl)silane has a molecular weight of 286.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;trimethoxy(phenyl)silane is sourced from PubChem (CID 175137156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).