(2Z,6E)-2-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-6-[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]cyclohexan-1-one

• ChemBase ID: 185470
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: C1(=O)/C(=C/C=C/N(C)C)/CCC/C/1=C/C=C/C=C/N(C)C
• Canonical SMILES: CN(/C=C/C=C/C=C\1/CCC/C(=C\C=C\N(C)C)/C1=O)C
• InChI: InChI=1S/C18H26N2O/c1-19(2)14-7-5-6-10-16-11-8-12-17(18(16)21)13-9-15-20(3)4/h5-7,9-10,13-15H,8,11-12H2,1-4H3/b6-5+,14-7+,15-9+,16-10-,17-13+
• InChIKey: NRJNKEWIQGWMPD-PFKLRJQQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z,6E)-2-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-6-[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]cyclohexan-1-one
• IUPAC Traditional name: (2Z,6E)-2-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-6-[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]cyclohexan-1-one

Database IDs

• PubChem SID: 164241380
• PubChem CID: 5921626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0501103
• LogD (pH = 7.4): 1.4969447
• Log P: 3.1485264
• Molar Refractivity: 95.368 cm^3
• Polarizability: 34.32142 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds