carbonic acid;1-nonan-2-ylimidazole

C13H24N2O3 — CID 175092771

IUPACcarbonic acid;1-nonan-2-ylimidazole
SMILESCCCCCCCC(C)n1ccnc1.O=C(O)O
InChIInChI=1S/C12H22N2.CH2O3/c1-3-4-5-6-7-8-12(2)14-10-9-13-11-14;2-1(3)4/h9-12H,3-8H2,1-2H3;(H2,2,3,4)
InChIKeyMVQMVYYVENLICL-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.03
Rot. Bonds7

About carbonic acid;1-nonan-2-ylimidazole

carbonic acid;1-nonan-2-ylimidazole (PubChem CID 175092771) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is carbonic acid;1-nonan-2-ylimidazole.

Molecular Properties

Compound Namecarbonic acid;1-nonan-2-ylimidazole
PubChem CID175092771
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namecarbonic acid;1-nonan-2-ylimidazole
SMILESCCCCCCCC(C)n1ccnc1.O=C(O)O
InChIInChI=1S/C12H22N2.CH2O3/c1-3-4-5-6-7-8-12(2)14-10-9-13-11-14;2-1(3)4/h9-12H,3-8H2,1-2H3;(H2,2,3,4)
InChIKeyMVQMVYYVENLICL-UHFFFAOYSA-N
XLogP4.03
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
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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3-imidazol-1-yldodecan-1-ol
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(3R)-3-imidazol-1-ylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-nonan-2-ylimidazole?
The IUPAC name of carbonic acid;1-nonan-2-ylimidazole (CID 175092771) is carbonic acid;1-nonan-2-ylimidazole.
What is the SMILES notation for carbonic acid;1-nonan-2-ylimidazole?
The canonical SMILES for carbonic acid;1-nonan-2-ylimidazole is CCCCCCCC(C)n1ccnc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-nonan-2-ylimidazole?
The InChIKey is MVQMVYYVENLICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.CH2O3/c1-3-4-5-6-7-8-12(2)14-10-9-13-11-14;2-1(3)4/h9-12H,3-8H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-nonan-2-ylimidazole?
carbonic acid;1-nonan-2-ylimidazole has a molecular weight of 256.35 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-nonan-2-ylimidazole is sourced from PubChem (CID 175092771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).