2-ethylhexyl 3-imidazol-1-ylpropanoate

C14H24N2O2 — CID 58526064

IUPAC2-ethylhexyl 3-imidazol-1-ylpropanoate
SMILESCCCCC(CC)COC(=O)CCn1ccnc1
InChIInChI=1S/C14H24N2O2/c1-3-5-6-13(4-2)11-18-14(17)7-9-16-10-8-15-12-16/h8,10,12-13H,3-7,9,11H2,1-2H3
InChIKeyKTBWDLBITVKIQS-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.03
Rot. Bonds9

About 2-ethylhexyl 3-imidazol-1-ylpropanoate

2-ethylhexyl 3-imidazol-1-ylpropanoate (PubChem CID 58526064) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethylhexyl 3-imidazol-1-ylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-imidazol-1-ylpropanoate
PubChem CID58526064
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-ethylhexyl 3-imidazol-1-ylpropanoate
SMILESCCCCC(CC)COC(=O)CCn1ccnc1
InChIInChI=1S/C14H24N2O2/c1-3-5-6-13(4-2)11-18-14(17)7-9-16-10-8-15-12-16/h8,10,12-13H,3-7,9,11H2,1-2H3
InChIKeyKTBWDLBITVKIQS-UHFFFAOYSA-N
XLogP3.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylhexyl 3-imidazol-1-ylpropanoate;2-ethylhexyl prop-2-enoate;1H-imidazole
CID 158433700
2-ethylhexyl 4-ethyl-2-(2-imidazol-1-ylacetyl)oxyoctanoate
CID 174916716
bis(2-butyloctyl) 10-[3-imidazol-1-ylpropyl(tetradecyl)amino]nonadecanedioate
CID 165381374
bis(2-ethylhexyl) hydrogen phosphate;1-butylimidazole
CID 175738721
6-[6-(4-ethyloctanoyloxy)hexyl-(3-imidazol-1-ylpropyl)amino]hexyl 4-ethyloctanoate
CID 165381343
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
2-(2-butyloctoxycarbonyloxy)ethyl 3-[[3-[2-(2-butyloctoxycarbonyloxy)ethoxy]-3-oxopropyl]-(3-imidazol-1-ylpropyl)amino]propanoate
CID 176660853
2-ethylhexyl 4-methylpentanoate
CID 134988368
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
propyl 8-imidazol-1-yloctanoate
CID 54366798
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-imidazol-1-ylpropanoate?
The IUPAC name of 2-ethylhexyl 3-imidazol-1-ylpropanoate (CID 58526064) is 2-ethylhexyl 3-imidazol-1-ylpropanoate.
What is the SMILES notation for 2-ethylhexyl 3-imidazol-1-ylpropanoate?
The canonical SMILES for 2-ethylhexyl 3-imidazol-1-ylpropanoate is CCCCC(CC)COC(=O)CCn1ccnc1.
What is the InChIKey of 2-ethylhexyl 3-imidazol-1-ylpropanoate?
The InChIKey is KTBWDLBITVKIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-6-13(4-2)11-18-14(17)7-9-16-10-8-15-12-16/h8,10,12-13H,3-7,9,11H2,1-2H3.
What are the key properties of 2-ethylhexyl 3-imidazol-1-ylpropanoate?
2-ethylhexyl 3-imidazol-1-ylpropanoate has a molecular weight of 252.36 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-imidazol-1-ylpropanoate is sourced from PubChem (CID 58526064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).