2-ethylhexyl 2-(diethylamino)benzoate

C19H31NO2 — CID 68841644

IUPAC2-ethylhexyl 2-(diethylamino)benzoate
SMILESCCCCC(CC)COC(=O)c1ccccc1N(CC)CC
InChIInChI=1S/C19H31NO2/c1-5-9-12-16(6-2)15-22-19(21)17-13-10-11-14-18(17)20(7-3)8-4/h10-11,13-14,16H,5-9,12,15H2,1-4H3
InChIKeyKXSSBXUNJLTGLC-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.91
Rot. Bonds10

About 2-ethylhexyl 2-(diethylamino)benzoate

2-ethylhexyl 2-(diethylamino)benzoate (PubChem CID 68841644) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-ethylhexyl 2-(diethylamino)benzoate.

Molecular Properties

Compound Name2-ethylhexyl 2-(diethylamino)benzoate
PubChem CID68841644
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-ethylhexyl 2-(diethylamino)benzoate
SMILESCCCCC(CC)COC(=O)c1ccccc1N(CC)CC
InChIInChI=1S/C19H31NO2/c1-5-9-12-16(6-2)15-22-19(21)17-13-10-11-14-18(17)20(7-3)8-4/h10-11,13-14,16H,5-9,12,15H2,1-4H3
InChIKeyKXSSBXUNJLTGLC-UHFFFAOYSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
benzoic acid;2-ethylhexyl benzoate
CID 90214866
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540
2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate
CID 146237456

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-(diethylamino)benzoate?
The IUPAC name of 2-ethylhexyl 2-(diethylamino)benzoate (CID 68841644) is 2-ethylhexyl 2-(diethylamino)benzoate.
What is the SMILES notation for 2-ethylhexyl 2-(diethylamino)benzoate?
The canonical SMILES for 2-ethylhexyl 2-(diethylamino)benzoate is CCCCC(CC)COC(=O)c1ccccc1N(CC)CC.
What is the InChIKey of 2-ethylhexyl 2-(diethylamino)benzoate?
The InChIKey is KXSSBXUNJLTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-9-12-16(6-2)15-22-19(21)17-13-10-11-14-18(17)20(7-3)8-4/h10-11,13-14,16H,5-9,12,15H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-(diethylamino)benzoate?
2-ethylhexyl 2-(diethylamino)benzoate has a molecular weight of 305.46 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-(diethylamino)benzoate is sourced from PubChem (CID 68841644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).