carbonic acid;1-dodecylimidazole

C16H30N2O3 — CID 175596781

IUPACcarbonic acid;1-dodecylimidazole
SMILESCCCCCCCCCCCCn1ccnc1.O=C(O)O
InChIInChI=1S/C15H28N2.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;2-1(3)4/h12,14-15H,2-11,13H2,1H3;(H2,2,3,4)
InChIKeyGSOYHLRIAPWBFN-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.03
Rot. Bonds11

About carbonic acid;1-dodecylimidazole

carbonic acid;1-dodecylimidazole (PubChem CID 175596781) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is carbonic acid;1-dodecylimidazole.

Molecular Properties

Compound Namecarbonic acid;1-dodecylimidazole
PubChem CID175596781
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namecarbonic acid;1-dodecylimidazole
SMILESCCCCCCCCCCCCn1ccnc1.O=C(O)O
InChIInChI=1S/C15H28N2.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;2-1(3)4/h12,14-15H,2-11,13H2,1H3;(H2,2,3,4)
InChIKeyGSOYHLRIAPWBFN-UHFFFAOYSA-N
XLogP5.03
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-dodecylimidazole?
The IUPAC name of carbonic acid;1-dodecylimidazole (CID 175596781) is carbonic acid;1-dodecylimidazole.
What is the SMILES notation for carbonic acid;1-dodecylimidazole?
The canonical SMILES for carbonic acid;1-dodecylimidazole is CCCCCCCCCCCCn1ccnc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-dodecylimidazole?
The InChIKey is GSOYHLRIAPWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17;2-1(3)4/h12,14-15H,2-11,13H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-dodecylimidazole?
carbonic acid;1-dodecylimidazole has a molecular weight of 298.43 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-dodecylimidazole is sourced from PubChem (CID 175596781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).