ethyl pentanoate;1H-imidazole

C10H18N2O2 — CID 175410949

IUPACethyl pentanoate;1H-imidazole
SMILESCCCCC(=O)OCC.c1c[nH]cn1
InChIInChI=1S/C7H14O2.C3H4N2/c1-3-5-6-7(8)9-4-2;1-2-5-3-4-1/h3-6H2,1-2H3;1-3H,(H,4,5)
InChIKeyFKIVLOCWHQZOSW-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.15
Rot. Bonds4

About ethyl pentanoate;1H-imidazole

ethyl pentanoate;1H-imidazole (PubChem CID 175410949) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl pentanoate;1H-imidazole.

Molecular Properties

Compound Nameethyl pentanoate;1H-imidazole
PubChem CID175410949
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl pentanoate;1H-imidazole
SMILESCCCCC(=O)OCC.c1c[nH]cn1
InChIInChI=1S/C7H14O2.C3H4N2/c1-3-5-6-7(8)9-4-2;1-2-5-3-4-1/h3-6H2,1-2H3;1-3H,(H,4,5)
InChIKeyFKIVLOCWHQZOSW-UHFFFAOYSA-N
XLogP2.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(1H-imidazole);propanoic acid
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butan-1-ol;1H-imidazole;hydrochloride
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ethyl hexanoate;zirconium(2+)
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ethyl hexanoate;mercury
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ethyl hexanoate;tungsten
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ethyl tetradecanoate
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ethyl hexanoate;titanium
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ethyl hexanoate;nickel(2+)
CID 162067155
pentakis(ethyl octanoate);hexane
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Frequently Asked Questions

What is the IUPAC name of ethyl pentanoate;1H-imidazole?
The IUPAC name of ethyl pentanoate;1H-imidazole (CID 175410949) is ethyl pentanoate;1H-imidazole.
What is the SMILES notation for ethyl pentanoate;1H-imidazole?
The canonical SMILES for ethyl pentanoate;1H-imidazole is CCCCC(=O)OCC.c1c[nH]cn1.
What is the InChIKey of ethyl pentanoate;1H-imidazole?
The InChIKey is FKIVLOCWHQZOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C3H4N2/c1-3-5-6-7(8)9-4-2;1-2-5-3-4-1/h3-6H2,1-2H3;1-3H,(H,4,5).
What are the key properties of ethyl pentanoate;1H-imidazole?
ethyl pentanoate;1H-imidazole has a molecular weight of 198.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pentanoate;1H-imidazole is sourced from PubChem (CID 175410949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).