ethyl 2-ethyl-3,5-dimethylbenzoate

C13H18O2 — CID 152572312

IUPACethyl 2-ethyl-3,5-dimethylbenzoate
SMILESCCOC(=O)c1cc(C)cc(C)c1CC
InChIInChI=1S/C13H18O2/c1-5-11-10(4)7-9(3)8-12(11)13(14)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyYRSVPWWDMDUTJB-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.04
Rot. Bonds3

About ethyl 2-ethyl-3,5-dimethylbenzoate

ethyl 2-ethyl-3,5-dimethylbenzoate (PubChem CID 152572312) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is ethyl 2-ethyl-3,5-dimethylbenzoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3,5-dimethylbenzoate
PubChem CID152572312
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Nameethyl 2-ethyl-3,5-dimethylbenzoate
SMILESCCOC(=O)c1cc(C)cc(C)c1CC
InChIInChI=1S/C13H18O2/c1-5-11-10(4)7-9(3)8-12(11)13(14)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyYRSVPWWDMDUTJB-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(bromomethyl)-3-chloro-5-methylbenzoate
CID 156791237
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 5-bromo-2-(bromomethyl)-3-methylbenzoate
CID 171006567
ethyl 2-(chloromethyl)-3-cyano-5-methylbenzoate
CID 131611900
ethyl 3-amino-2-chloro-5-methylbenzoate
CID 131383830
2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
CID 55178460
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3,5-dimethylbenzoate?
The IUPAC name of ethyl 2-ethyl-3,5-dimethylbenzoate (CID 152572312) is ethyl 2-ethyl-3,5-dimethylbenzoate.
What is the SMILES notation for ethyl 2-ethyl-3,5-dimethylbenzoate?
The canonical SMILES for ethyl 2-ethyl-3,5-dimethylbenzoate is CCOC(=O)c1cc(C)cc(C)c1CC.
What is the InChIKey of ethyl 2-ethyl-3,5-dimethylbenzoate?
The InChIKey is YRSVPWWDMDUTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-11-10(4)7-9(3)8-12(11)13(14)15-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 2-ethyl-3,5-dimethylbenzoate?
ethyl 2-ethyl-3,5-dimethylbenzoate has a molecular weight of 206.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3,5-dimethylbenzoate is sourced from PubChem (CID 152572312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).