acetic acid;1-decylimidazole

C15H28N2O2 — CID 175546754

IUPACacetic acid;1-decylimidazole
SMILESCC(=O)O.CCCCCCCCCCn1ccnc1
InChIInChI=1S/C13H24N2.C2H4O2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;1-2(3)4/h10,12-13H,2-9,11H2,1H3;1H3,(H,3,4)
InChIKeyPTDAGZFLLYDMIJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.11
Rot. Bonds9

About acetic acid;1-decylimidazole

acetic acid;1-decylimidazole (PubChem CID 175546754) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is acetic acid;1-decylimidazole.

Molecular Properties

Compound Nameacetic acid;1-decylimidazole
PubChem CID175546754
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameacetic acid;1-decylimidazole
SMILESCC(=O)O.CCCCCCCCCCn1ccnc1
InChIInChI=1S/C13H24N2.C2H4O2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;1-2(3)4/h10,12-13H,2-9,11H2,1H3;1H3,(H,3,4)
InChIKeyPTDAGZFLLYDMIJ-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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sodium;1-butylimidazole;bromide
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CID 174409520

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-decylimidazole?
The IUPAC name of acetic acid;1-decylimidazole (CID 175546754) is acetic acid;1-decylimidazole.
What is the SMILES notation for acetic acid;1-decylimidazole?
The canonical SMILES for acetic acid;1-decylimidazole is CC(=O)O.CCCCCCCCCCn1ccnc1.
What is the InChIKey of acetic acid;1-decylimidazole?
The InChIKey is PTDAGZFLLYDMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C2H4O2/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;1-2(3)4/h10,12-13H,2-9,11H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-decylimidazole?
acetic acid;1-decylimidazole has a molecular weight of 268.40 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-decylimidazole is sourced from PubChem (CID 175546754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).