[(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate

C18H30N2O2 — CID 71194726

IUPAC[(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate
SMILESCCCC/C=C\CCC(CCCCC)OC(=O)n1ccnc1
InChIInChI=1S/C18H30N2O2/c1-3-5-7-8-9-11-13-17(12-10-6-4-2)22-18(21)20-15-14-19-16-20/h8-9,14-17H,3-7,10-13H2,1-2H3/b9-8-
InChIKeyBKXKAYVGXARDKY-HJWRWDBZSA-N
MW306.45 g/mol
LogP5.34
Rot. Bonds11

About [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate

[(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate (PubChem CID 71194726) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate
PubChem CID71194726
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate
SMILESCCCC/C=C\CCC(CCCCC)OC(=O)n1ccnc1
InChIInChI=1S/C18H30N2O2/c1-3-5-7-8-9-11-13-17(12-10-6-4-2)22-18(21)20-15-14-19-16-20/h8-9,14-17H,3-7,10-13H2,1-2H3/b9-8-
InChIKeyBKXKAYVGXARDKY-HJWRWDBZSA-N
XLogP5.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate?
The IUPAC name of [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate (CID 71194726) is [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate.
What is the SMILES notation for [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate?
The canonical SMILES for [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate is CCCC/C=C\CCC(CCCCC)OC(=O)n1ccnc1.
What is the InChIKey of [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate?
The InChIKey is BKXKAYVGXARDKY-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-5-7-8-9-11-13-17(12-10-6-4-2)22-18(21)20-15-14-19-16-20/h8-9,14-17H,3-7,10-13H2,1-2H3/b9-8-.
What are the key properties of [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate?
[(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate has a molecular weight of 306.45 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tetradec-9-en-6-yl] imidazole-1-carboxylate is sourced from PubChem (CID 71194726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).