ethyl 2,6-di(butan-2-yl)benzoate

C17H26O2 — CID 166060027

IUPACethyl 2,6-di(butan-2-yl)benzoate
SMILESCCOC(=O)c1c(C(C)CC)cccc1C(C)CC
InChIInChI=1S/C17H26O2/c1-6-12(4)14-10-9-11-15(13(5)7-2)16(14)17(18)19-8-3/h9-13H,6-8H2,1-5H3
InChIKeyUJZZEUGWDWLYDN-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.89
Rot. Bonds6

About ethyl 2,6-di(butan-2-yl)benzoate

ethyl 2,6-di(butan-2-yl)benzoate (PubChem CID 166060027) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethyl 2,6-di(butan-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 2,6-di(butan-2-yl)benzoate
PubChem CID166060027
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethyl 2,6-di(butan-2-yl)benzoate
SMILESCCOC(=O)c1c(C(C)CC)cccc1C(C)CC
InChIInChI=1S/C17H26O2/c1-6-12(4)14-10-9-11-15(13(5)7-2)16(14)17(18)19-8-3/h9-13H,6-8H2,1-5H3
InChIKeyUJZZEUGWDWLYDN-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,6-dimethylbenzoate
CID 520807
2-butan-2-yl-6-carbamoylbenzoic acid
CID 174916256
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-[1-(dimethylamino)ethyl]benzoate
CID 67415343
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate
CID 63327568
ethyl 2-(3-bromopropyl)-6-(difluoromethyl)benzoate
CID 134644460
2-O-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2483233
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-(1-bromo-2-oxopropyl)-6-fluorobenzoate
CID 134644289
ethyl 2-amino-6-hydroxybenzoate
CID 70700315

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-di(butan-2-yl)benzoate?
The IUPAC name of ethyl 2,6-di(butan-2-yl)benzoate (CID 166060027) is ethyl 2,6-di(butan-2-yl)benzoate.
What is the SMILES notation for ethyl 2,6-di(butan-2-yl)benzoate?
The canonical SMILES for ethyl 2,6-di(butan-2-yl)benzoate is CCOC(=O)c1c(C(C)CC)cccc1C(C)CC.
What is the InChIKey of ethyl 2,6-di(butan-2-yl)benzoate?
The InChIKey is UJZZEUGWDWLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-12(4)14-10-9-11-15(13(5)7-2)16(14)17(18)19-8-3/h9-13H,6-8H2,1-5H3.
What are the key properties of ethyl 2,6-di(butan-2-yl)benzoate?
ethyl 2,6-di(butan-2-yl)benzoate has a molecular weight of 262.39 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-di(butan-2-yl)benzoate is sourced from PubChem (CID 166060027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).