(2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid

C78H80O12 — CID 159585673

About (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid

(2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid (PubChem CID 159585673) has the molecular formula C78H80O12 and a molecular weight of 1209.49 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid.

Molecular Properties

• Compound Name: (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid
• PubChem CID: 159585673
• Molecular Formula: C78H80O12
• Molecular Weight: 1209.49 g/mol
• Exact Mass: 1208.56
• IUPAC Name: (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid
• SMILES: CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\C=COc2cc(C)ccc21.CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\C=COc2ccccc21.CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCOc2cc(C)ccc21.CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCOc2ccccc21
• InChI: InChI=1S/C20H22O3.C20H20O3.C19H20O3.C19H18O3/c2*1-14(5-4-6-15(2)13-20(21)22)11-17-9-10-23-19-12-16(3)7-8-18(17)19;2*1-14(6-5-7-15(2)13-19(20)21)12-16-10-11-22-18-9-4-3-8-17(16)18/h4-8,11-13H,9-10H2,1-3H3,(H,21,22);4-13H,1-3H3,(H,21,22);3-9,12-13H,10-11H2,1-2H3,(H,20,21);3-13H,1-2H3,(H,20,21)/b2*6-4+,14-5-,15-13+,17-11+;2*7-5+,14-6-,15-13+,16-12+
• InChIKey: MJOSZHGHVPHUPR-NFETYINSSA-N
• XLogP: 18.41
• TPSA: 186.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1209.49
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid?

The IUPAC name of (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid (CID 159585673) is (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid.

What is the SMILES notation for (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid?

The canonical SMILES for (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid is CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\C=COc2cc(C)ccc21.CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\C=COc2ccccc21.CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCOc2cc(C)ccc21.CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCOc2ccccc21.

What is the InChIKey of (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid?

The InChIKey is MJOSZHGHVPHUPR-NFETYINSSA-N. The full InChI is InChI=1S/C20H22O3.C20H20O3.C19H20O3.C19H18O3/c2*1-14(5-4-6-15(2)13-20(21)22)11-17-9-10-23-19-12-16(3)7-8-18(17)19;2*1-14(6-5-7-15(2)13-19(20)21)12-16-10-11-22-18-9-4-3-8-17(16)18/h4-8,11-13H,9-10H2,1-3H3,(H,21,22);4-13H,1-3H3,(H,21,22);3-9,12-13H,10-11H2,1-2H3,(H,20,21);3-13H,1-2H3,(H,20,21)/b2*6-4+,14-5-,15-13+,17-11+;2*7-5+,14-6-,15-13+,16-12+.

What are the key properties of (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid?

(2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid has a molecular weight of 1209.49 g/mol, XLogP of 18.41, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6Z,8E)-8-chromen-4-ylidene-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-8-(2,3-dihydrochromen-4-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methylchromen-4-ylidene)octa-2,4,6-trienoic acid;(2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-2,3-dihydrochromen-4-ylidene)octa-2,4,6-trienoic acid is sourced from PubChem (CID 159585673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).