3-[diethoxy(methyl)silyl]propyl acetate

C10H22O4Si — CID 11436258

IUPAC3-[diethoxy(methyl)silyl]propyl acetate
SMILESCCO[Si](C)(CCCOC(C)=O)OCC
InChIInChI=1S/C10H22O4Si/c1-5-13-15(4,14-6-2)9-7-8-12-10(3)11/h5-9H2,1-4H3
InChIKeyMJZSNFXYYMDKQP-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.08
Rot. Bonds8

About 3-[diethoxy(methyl)silyl]propyl acetate

3-[diethoxy(methyl)silyl]propyl acetate (PubChem CID 11436258) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propyl acetate.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propyl acetate
PubChem CID11436258
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name3-[diethoxy(methyl)silyl]propyl acetate
SMILESCCO[Si](C)(CCCOC(C)=O)OCC
InChIInChI=1S/C10H22O4Si/c1-5-13-15(4,14-6-2)9-7-8-12-10(3)11/h5-9H2,1-4H3
InChIKeyMJZSNFXYYMDKQP-UHFFFAOYSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl trimethylsilylacetate
CID 77687
(2-Carbethoxyethyl)triethoxysilane
CID 80909
Ethyl 3-(trimethylsilyl)propionate
CID 262852
Ethanol, 2-(trimethylsilyl)-, 1-acetate
CID 85252
1-Propanol, 3-(trimethoxysilyl)-, acetate
CID 100924
Propanoic acid, 2-(trimethoxysilyl)-, ethyl ester
CID 11031450
Acetoxymethyltriethoxysilane
CID 11528804
1-Propanol, 3-(trimethylsilyl)-, 1-acetate
CID 87619
Ethyl 4-(diethoxymethylsilyl)butyrate
CID 85265
Ethyl 3-(diethoxymethylsilyl)propanoate
CID 87378
2-Carbethoxypropyl diethoxymethyl silane
CID 110855
Methyl 4-((tert-butyldimethylsilyl)oxy)but-2-ynoate
CID 11117822

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)silyl]propyl acetate?
The IUPAC name of 3-[diethoxy(methyl)silyl]propyl acetate (CID 11436258) is 3-[diethoxy(methyl)silyl]propyl acetate.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propyl acetate?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propyl acetate is CCO[Si](C)(CCCOC(C)=O)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propyl acetate?
The InChIKey is MJZSNFXYYMDKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-5-13-15(4,14-6-2)9-7-8-12-10(3)11/h5-9H2,1-4H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propyl acetate?
3-[diethoxy(methyl)silyl]propyl acetate has a molecular weight of 234.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propyl acetate is sourced from PubChem (CID 11436258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).