(2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol

C37H70N2O3 — CID 156805412

About (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol

(2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol (PubChem CID 156805412) has the molecular formula C37H70N2O3 and a molecular weight of 590.98 g/mol. Its IUPAC name is (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol.

Molecular Properties

• Compound Name: (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol
• PubChem CID: 156805412
• Molecular Formula: C37H70N2O3
• Molecular Weight: 590.98 g/mol
• Exact Mass: 590.54
• IUPAC Name: (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol
• SMILES: CN(C)CCOC/C=C\C/C=C\CCCCCCCCC(O)CCCCCCCC/C=C\C/C=C\COCCN(C)C
• InChI: InChI=1S/C37H70N2O3/c1-38(2)31-35-41-33-27-23-19-15-11-7-5-9-13-17-21-25-29-37(40)30-26-22-18-14-10-6-8-12-16-20-24-28-34-42-36-32-39(3)4/h11-12,15-16,23-24,27-28,37,40H,5-10,13-14,17-22,25-26,29-36H2,1-4H3/b15-11-,16-12-,27-23-,28-24-
• InChIKey: CDZKWJBQCRAINR-QZUPHNDMSA-N
• XLogP: 8.75
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 32
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.98
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol?

The IUPAC name of (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol (CID 156805412) is (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol.

What is the SMILES notation for (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol?

The canonical SMILES for (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol is CN(C)CCOC/C=C\C/C=C\CCCCCCCCC(O)CCCCCCCC/C=C\C/C=C\COCCN(C)C.

What is the InChIKey of (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol?

The InChIKey is CDZKWJBQCRAINR-QZUPHNDMSA-N. The full InChI is InChI=1S/C37H70N2O3/c1-38(2)31-35-41-33-27-23-19-15-11-7-5-9-13-17-21-25-29-37(40)30-26-22-18-14-10-6-8-12-16-20-24-28-34-42-36-32-39(3)4/h11-12,15-16,23-24,27-28,37,40H,5-10,13-14,17-22,25-26,29-36H2,1-4H3/b15-11-,16-12-,27-23-,28-24-.

What are the key properties of (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol?

(2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol has a molecular weight of 590.98 g/mol, XLogP of 8.75, 32 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol is sourced from PubChem (CID 156805412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).