propyl 8-imidazol-1-yloctanoate

C14H24N2O2 — CID 54366798

IUPACpropyl 8-imidazol-1-yloctanoate
SMILESCCCOC(=O)CCCCCCCn1ccnc1
InChIInChI=1S/C14H24N2O2/c1-2-12-18-14(17)8-6-4-3-5-7-10-16-11-9-15-13-16/h9,11,13H,2-8,10,12H2,1H3
InChIKeyNOWJXOLLDHSTNF-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.18
Rot. Bonds10

About propyl 8-imidazol-1-yloctanoate

propyl 8-imidazol-1-yloctanoate (PubChem CID 54366798) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is propyl 8-imidazol-1-yloctanoate.

Molecular Properties

Compound Namepropyl 8-imidazol-1-yloctanoate
PubChem CID54366798
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namepropyl 8-imidazol-1-yloctanoate
SMILESCCCOC(=O)CCCCCCCn1ccnc1
InChIInChI=1S/C14H24N2O2/c1-2-12-18-14(17)8-6-4-3-5-7-10-16-11-9-15-13-16/h9,11,13H,2-8,10,12H2,1H3
InChIKeyNOWJXOLLDHSTNF-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-ylethyl hexadecanoate;oxalic acid
CID 86116323
nonyl 8-(3-imidazol-1-ylpropylamino)octanoate
CID 177020233
ethane;3-pentyloctyl 8-[heptyl(3-imidazol-1-ylpropyl)amino]octanoate
CID 178033511
ethyl 5-(3-imidazol-1-ylpropylsulfanyl)pentanoate
CID 154764766
6-(2,3,4,5,6-pentafluorophenoxy)carbonyloxyhexyl 5-imidazol-1-ylpentanoate
CID 161430314
7-[(8-heptoxy-8-oxooctyl)-(3-imidazol-1-ylpropyl)amino]heptyl 2-octyldecanoate
CID 169079667
7-[3-imidazol-1-ylpropyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate
CID 167712122
carbonic acid;1-dodecylimidazole
CID 175596781
acetic acid;1-decylimidazole
CID 175546754
1-nonylimidazole;hydrobromide
CID 175434544
6-[6-(4-ethyloctanoyloxy)hexyl-(3-imidazol-1-ylpropyl)amino]hexyl 4-ethyloctanoate
CID 165381343
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374

Frequently Asked Questions

What is the IUPAC name of propyl 8-imidazol-1-yloctanoate?
The IUPAC name of propyl 8-imidazol-1-yloctanoate (CID 54366798) is propyl 8-imidazol-1-yloctanoate.
What is the SMILES notation for propyl 8-imidazol-1-yloctanoate?
The canonical SMILES for propyl 8-imidazol-1-yloctanoate is CCCOC(=O)CCCCCCCn1ccnc1.
What is the InChIKey of propyl 8-imidazol-1-yloctanoate?
The InChIKey is NOWJXOLLDHSTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-12-18-14(17)8-6-4-3-5-7-10-16-11-9-15-13-16/h9,11,13H,2-8,10,12H2,1H3.
What are the key properties of propyl 8-imidazol-1-yloctanoate?
propyl 8-imidazol-1-yloctanoate has a molecular weight of 252.36 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 8-imidazol-1-yloctanoate is sourced from PubChem (CID 54366798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).