(E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol

C30H33NO — CID 143485632

About (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol

(E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol (PubChem CID 143485632) has the molecular formula C30H33NO and a molecular weight of 423.60 g/mol. Its IUPAC name is (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol.

Molecular Properties

• Compound Name: (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol
• PubChem CID: 143485632
• Molecular Formula: C30H33NO
• Molecular Weight: 423.60 g/mol
• Exact Mass: 423.26
• IUPAC Name: (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol
• SMILES: C=C/C(CCCc1cccc(/C=C/c2ccc3ccc(C)cc3n2)c1)=C(\C=C)C(C)(C)O
• InChI: InChI=1S/C30H33NO/c1-6-25(28(7-2)30(4,5)32)13-9-12-23-10-8-11-24(21-23)15-18-27-19-17-26-16-14-22(3)20-29(26)31-27/h6-8,10-11,14-21,32H,1-2,9,12-13H2,3-5H3/b18-15+,28-25-
• InChIKey: FTZWOXCXIGUPLB-GYPSLGRWSA-N
• XLogP: 7.48
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.60
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol?

The IUPAC name of (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol (CID 143485632) is (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol.

What is the SMILES notation for (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol?

The canonical SMILES for (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol is C=C/C(CCCc1cccc(/C=C/c2ccc3ccc(C)cc3n2)c1)=C(\C=C)C(C)(C)O.

What is the InChIKey of (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol?

The InChIKey is FTZWOXCXIGUPLB-GYPSLGRWSA-N. The full InChI is InChI=1S/C30H33NO/c1-6-25(28(7-2)30(4,5)32)13-9-12-23-10-8-11-24(21-23)15-18-27-19-17-26-16-14-22(3)20-29(26)31-27/h6-8,10-11,14-21,32H,1-2,9,12-13H2,3-5H3/b18-15+,28-25-.

What are the key properties of (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol?

(E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol has a molecular weight of 423.60 g/mol, XLogP of 7.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3,4-bis(ethenyl)-2-methyl-7-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]hept-3-en-2-ol is sourced from PubChem (CID 143485632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).