ethoxy(trimethyl)silane;methyl benzoate

C13H22O3Si — CID 91180329

IUPACethoxy(trimethyl)silane;methyl benzoate
SMILESCCO[Si](C)(C)C.COC(=O)c1ccccc1
InChIInChI=1S/C8H8O2.C5H14OSi/c1-10-8(9)7-5-3-2-4-6-7;1-5-6-7(2,3)4/h2-6H,1H3;5H2,1-4H3
InChIKeyUFEQJYXUIMWNOU-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.33
Rot. Bonds3

About ethoxy(trimethyl)silane;methyl benzoate

ethoxy(trimethyl)silane;methyl benzoate (PubChem CID 91180329) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is ethoxy(trimethyl)silane;methyl benzoate.

Molecular Properties

Compound Nameethoxy(trimethyl)silane;methyl benzoate
PubChem CID91180329
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Nameethoxy(trimethyl)silane;methyl benzoate
SMILESCCO[Si](C)(C)C.COC(=O)c1ccccc1
InChIInChI=1S/C8H8O2.C5H14OSi/c1-10-8(9)7-5-3-2-4-6-7;1-5-6-7(2,3)4/h2-6H,1H3;5H2,1-4H3
InChIKeyUFEQJYXUIMWNOU-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl benzoate;pentane
CID 142510193
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl 4-triethoxysilylbenzoate
CID 12006361
methyl benzoate azide
CID 161139797
CID 158970570
CID 158970570
methyl benzoate;2-methylpropan-1-ol
CID 69407319
butanamide;methyl benzoate
CID 174540365
bromobenzene;methyl benzoate
CID 175243928
methyl benzoate;propane-1,2,3-triol
CID 141209730
methyl benzoate;undecan-6-one
CID 174958584

Frequently Asked Questions

What is the IUPAC name of ethoxy(trimethyl)silane;methyl benzoate?
The IUPAC name of ethoxy(trimethyl)silane;methyl benzoate (CID 91180329) is ethoxy(trimethyl)silane;methyl benzoate.
What is the SMILES notation for ethoxy(trimethyl)silane;methyl benzoate?
The canonical SMILES for ethoxy(trimethyl)silane;methyl benzoate is CCO[Si](C)(C)C.COC(=O)c1ccccc1.
What is the InChIKey of ethoxy(trimethyl)silane;methyl benzoate?
The InChIKey is UFEQJYXUIMWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C5H14OSi/c1-10-8(9)7-5-3-2-4-6-7;1-5-6-7(2,3)4/h2-6H,1H3;5H2,1-4H3.
What are the key properties of ethoxy(trimethyl)silane;methyl benzoate?
ethoxy(trimethyl)silane;methyl benzoate has a molecular weight of 254.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(trimethyl)silane;methyl benzoate is sourced from PubChem (CID 91180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).