(6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol

C40H58O4 — CID 87443293

About (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol

(6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol (PubChem CID 87443293) has the molecular formula C40H58O4 and a molecular weight of 602.90 g/mol. Its IUPAC name is (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol.

Molecular Properties

• Compound Name: (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol
• PubChem CID: 87443293
• Molecular Formula: C40H58O4
• Molecular Weight: 602.90 g/mol
• Exact Mass: 602.43
• IUPAC Name: (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol
• SMILES: CC(/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1/C(C)(C)CC(O)CC1(C)O)=C\C=C1\C(C)(C)CC(O)CC1(C)O
• InChI: InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-23-35-37(5,6)25-33(41)27-39(35,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-36-38(7,8)26-34(42)28-40(36,10)44/h11-24,33-34,41-44H,25-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,35-23-,36-24-
• InChIKey: MVDDWUSHVUIKEM-FMJGGTAPSA-N
• XLogP: 8.71
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.90
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol?

The IUPAC name of (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol (CID 87443293) is (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol.

What is the SMILES notation for (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol?

The canonical SMILES for (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol is CC(/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1/C(C)(C)CC(O)CC1(C)O)=C\C=C1\C(C)(C)CC(O)CC1(C)O.

What is the InChIKey of (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol?

The InChIKey is MVDDWUSHVUIKEM-FMJGGTAPSA-N. The full InChI is InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-23-35-37(5,6)25-33(41)27-39(35,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-36-38(7,8)26-34(42)28-40(36,10)44/h11-24,33-34,41-44H,25-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,35-23-,36-24-.

What are the key properties of (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol?

(6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol has a molecular weight of 602.90 g/mol, XLogP of 8.71, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol is sourced from PubChem (CID 87443293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).