triethylsilyl 2-methylbenzoate

C14H22O2Si — CID 102243806

IUPACtriethylsilyl 2-methylbenzoate
SMILESCC[Si](CC)(CC)OC(=O)c1ccccc1C
InChIInChI=1S/C14H22O2Si/c1-5-17(6-2,7-3)16-14(15)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyNXRIHLDESZAOQF-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.16
Rot. Bonds5

About triethylsilyl 2-methylbenzoate

triethylsilyl 2-methylbenzoate (PubChem CID 102243806) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is triethylsilyl 2-methylbenzoate.

Molecular Properties

Compound Nametriethylsilyl 2-methylbenzoate
PubChem CID102243806
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Nametriethylsilyl 2-methylbenzoate
SMILESCC[Si](CC)(CC)OC(=O)c1ccccc1C
InChIInChI=1S/C14H22O2Si/c1-5-17(6-2,7-3)16-14(15)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyNXRIHLDESZAOQF-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 2-methylbenzoate
CID 577266
triethylsilyl 2-(diacetyloxymethyl)benzoate
CID 162196820
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
propyl 2-methylbenzoate
CID 23432654
nitroso 2-methylbenzoate
CID 175187431
bromo 2-methylbenzoate
CID 67185739
ethane;methane;methyl 2-methylbenzoate
CID 168902289
1-aminopropyl 2-methylbenzoate
CID 174943529
2,2,2-trifluoroethyl 2-methylbenzenecarboperoxoate
CID 174860800
2-methylbenzamide;molecular hydrogen
CID 177161283
triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate
CID 140646248
tridecyl 2-methylbenzoate
CID 530568

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-methylbenzoate?
The IUPAC name of triethylsilyl 2-methylbenzoate (CID 102243806) is triethylsilyl 2-methylbenzoate.
What is the SMILES notation for triethylsilyl 2-methylbenzoate?
The canonical SMILES for triethylsilyl 2-methylbenzoate is CC[Si](CC)(CC)OC(=O)c1ccccc1C.
What is the InChIKey of triethylsilyl 2-methylbenzoate?
The InChIKey is NXRIHLDESZAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-5-17(6-2,7-3)16-14(15)13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3.
What are the key properties of triethylsilyl 2-methylbenzoate?
triethylsilyl 2-methylbenzoate has a molecular weight of 250.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-methylbenzoate is sourced from PubChem (CID 102243806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).