ethyl 2,4,6-triethylbenzoate

C15H22O2 — CID 12702183

IUPACethyl 2,4,6-triethylbenzoate
SMILESCCOC(=O)c1c(CC)cc(CC)cc1CC
InChIInChI=1S/C15H22O2/c1-5-11-9-12(6-2)14(13(7-3)10-11)15(16)17-8-4/h9-10H,5-8H2,1-4H3
InChIKeyRCCRFFMCXHDFMO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2,4,6-triethylbenzoate

ethyl 2,4,6-triethylbenzoate (PubChem CID 12702183) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 2,4,6-triethylbenzoate.

Molecular Properties

Compound Nameethyl 2,4,6-triethylbenzoate
PubChem CID12702183
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 2,4,6-triethylbenzoate
SMILESCCOC(=O)c1c(CC)cc(CC)cc1CC
InChIInChI=1S/C15H22O2/c1-5-11-9-12(6-2)14(13(7-3)10-11)15(16)17-8-4/h9-10H,5-8H2,1-4H3
InChIKeyRCCRFFMCXHDFMO-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-cyano-2,6-diethylbenzoate
CID 134614516
ethyl 4-(bromomethyl)-2-cyano-6-ethylbenzoate
CID 134650671
ethyl 2-amino-3,6-diethylbenzoate;hydrochloride
CID 79071345
2,4,6-triethylbenzoyl iodide
CID 139959913
ethyl 4-cyano-2-ethyl-6-methylbenzoate
CID 134614454
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-bromo-3-cyano-6-ethylbenzoate
CID 134650281
ethyl 2,4,6-trichlorobenzoate
CID 91733956
1-(2,4,6-triethylphenyl)prop-2-en-1-one
CID 103522560
[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
CID 54544995
ethyl 4,6-diethyl-2-hydroxy-3-prop-2-enylbenzoate
CID 86089524

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4,6-triethylbenzoate?
The IUPAC name of ethyl 2,4,6-triethylbenzoate (CID 12702183) is ethyl 2,4,6-triethylbenzoate.
What is the SMILES notation for ethyl 2,4,6-triethylbenzoate?
The canonical SMILES for ethyl 2,4,6-triethylbenzoate is CCOC(=O)c1c(CC)cc(CC)cc1CC.
What is the InChIKey of ethyl 2,4,6-triethylbenzoate?
The InChIKey is RCCRFFMCXHDFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-11-9-12(6-2)14(13(7-3)10-11)15(16)17-8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2,4,6-triethylbenzoate?
ethyl 2,4,6-triethylbenzoate has a molecular weight of 234.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4,6-triethylbenzoate is sourced from PubChem (CID 12702183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).