(5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol

C25H46O4 — CID 59958302

About (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol

(5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol (PubChem CID 59958302) has the molecular formula C25H46O4 and a molecular weight of 410.64 g/mol. Its IUPAC name is (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol.

Molecular Properties

• Compound Name: (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
• PubChem CID: 59958302
• Molecular Formula: C25H46O4
• Molecular Weight: 410.64 g/mol
• Exact Mass: 410.34
• IUPAC Name: (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
• SMILES: C=C/C=C\C(C)C(OC)C(C)C(OC)C(C)C/C(C)=C\C(C)C(OC)C(C)CO
• InChI: InChI=1S/C25H46O4/c1-11-12-13-18(3)24(28-9)22(7)25(29-10)20(5)15-17(2)14-19(4)23(27-8)21(6)16-26/h11-14,18-26H,1,15-16H2,2-10H3/b13-12-,17-14-
• InChIKey: UIJPHHNMVHGORP-WVPYDLLPSA-N
• XLogP: 5.28
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.64
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol?

The IUPAC name of (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol (CID 59958302) is (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol.

What is the SMILES notation for (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol?

The canonical SMILES for (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol is C=C/C=C\C(C)C(OC)C(C)C(OC)C(C)C/C(C)=C\C(C)C(OC)C(C)CO.

What is the InChIKey of (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol?

The InChIKey is UIJPHHNMVHGORP-WVPYDLLPSA-N. The full InChI is InChI=1S/C25H46O4/c1-11-12-13-18(3)24(28-9)22(7)25(29-10)20(5)15-17(2)14-19(4)23(27-8)21(6)16-26/h11-14,18-26H,1,15-16H2,2-10H3/b13-12-,17-14-.

What are the key properties of (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol?

(5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol has a molecular weight of 410.64 g/mol, XLogP of 5.28, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol is sourced from PubChem (CID 59958302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).