(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole

C13H20N2 — CID 146493009

IUPAC(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/C=C\CC(C)(C)C
InChIInChI=1S/C13H20N2/c1-5-11-12(15-10-14-11)8-6-7-9-13(2,3)4/h5-8,10H,9H2,1-4H3,(H,14,15)/b7-6-,11-5+,12-8+
InChIKeyNOMWGKFHHJFLTE-SCFVBHCGSA-N
MW204.32 g/mol
LogP1.98
Rot. Bonds2

About (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole

(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole (PubChem CID 146493009) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole
PubChem CID146493009
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole
SMILESC/C=c1/nc[nH]/c1=C/C=C\CC(C)(C)C
InChIInChI=1S/C13H20N2/c1-5-11-12(15-10-14-11)8-6-7-9-13(2,3)4/h5-8,10H,9H2,1-4H3,(H,14,15)/b7-6-,11-5+,12-8+
InChIKeyNOMWGKFHHJFLTE-SCFVBHCGSA-N
XLogP1.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole?
The IUPAC name of (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole (CID 146493009) is (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole is C/C=c1/nc[nH]/c1=C/C=C\CC(C)(C)C.
What is the InChIKey of (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole?
The InChIKey is NOMWGKFHHJFLTE-SCFVBHCGSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-11-12(15-10-14-11)8-6-7-9-13(2,3)4/h5-8,10H,9H2,1-4H3,(H,14,15)/b7-6-,11-5+,12-8+.
What are the key properties of (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole?
(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole has a molecular weight of 204.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole is sourced from PubChem (CID 146493009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).