(2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one

C23H34N2O — CID 14129844

IUPAC(2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)n1ccnc1
InChIInChI=1S/C23H34N2O/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)17-23(26)25-16-15-24-18-25/h9,11,13,15-18H,6-8,10,12,14H2,1-5H3/b20-11+,21-13+,22-17+
InChIKeyGUQGYEBJQFKNLL-MJBFCUISSA-N
MW354.54 g/mol
LogP6.67
Rot. Bonds10

About (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one

(2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one (PubChem CID 14129844) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one.

Molecular Properties

Compound Name(2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
PubChem CID14129844
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name(2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)n1ccnc1
InChIInChI=1S/C23H34N2O/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)17-23(26)25-16-15-24-18-25/h9,11,13,15-18H,6-8,10,12,14H2,1-5H3/b20-11+,21-13+,22-17+
InChIKeyGUQGYEBJQFKNLL-MJBFCUISSA-N
XLogP6.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one?
The IUPAC name of (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one (CID 14129844) is (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one.
What is the SMILES notation for (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one?
The canonical SMILES for (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)n1ccnc1.
What is the InChIKey of (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one?
The InChIKey is GUQGYEBJQFKNLL-MJBFCUISSA-N. The full InChI is InChI=1S/C23H34N2O/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)17-23(26)25-16-15-24-18-25/h9,11,13,15-18H,6-8,10,12,14H2,1-5H3/b20-11+,21-13+,22-17+.
What are the key properties of (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one?
(2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one has a molecular weight of 354.54 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-1-imidazol-1-yl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one is sourced from PubChem (CID 14129844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).