(8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide

C29H51NO3 — CID 142829753

About (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide

(8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide (PubChem CID 142829753) has the molecular formula C29H51NO3 and a molecular weight of 461.73 g/mol. Its IUPAC name is (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide.

Molecular Properties

• Compound Name: (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide
• PubChem CID: 142829753
• Molecular Formula: C29H51NO3
• Molecular Weight: 461.73 g/mol
• Exact Mass: 461.39
• IUPAC Name: (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide
• SMILES: C=C/C=C\C(C)C(CC(N)=O)C(C)C(O)C(C)C/C(C)=C\C(C)C(O)C(C)/C=C\C(C)CC
• InChI: InChI=1S/C29H51NO3/c1-10-12-13-21(5)26(18-27(30)31)25(9)29(33)24(8)17-20(4)16-23(7)28(32)22(6)15-14-19(3)11-2/h10,12-16,19,21-26,28-29,32-33H,1,11,17-18H2,2-9H3,(H2,30,31)/b13-12-,15-14-,20-16-
• InChIKey: RHXMIKBJXIIUEZ-JXZRIBFPSA-N
• XLogP: 6.06
• TPSA: 83.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.73
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

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 (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide?

The IUPAC name of (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide (CID 142829753) is (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide.

What is the SMILES notation for (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide?

The canonical SMILES for (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide is C=C/C=C\C(C)C(CC(N)=O)C(C)C(O)C(C)C/C(C)=C\C(C)C(O)C(C)/C=C\C(C)CC.

What is the InChIKey of (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide?

The InChIKey is RHXMIKBJXIIUEZ-JXZRIBFPSA-N. The full InChI is InChI=1S/C29H51NO3/c1-10-12-13-21(5)26(18-27(30)31)25(9)29(33)24(8)17-20(4)16-23(7)28(32)22(6)15-14-19(3)11-2/h10,12-16,19,21-26,28-29,32-33H,1,11,17-18H2,2-9H3,(H2,30,31)/b13-12-,15-14-,20-16-.

What are the key properties of (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide?

(8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide has a molecular weight of 461.73 g/mol, XLogP of 6.06, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8Z,13Z)-3-[(3Z)-hexa-3,5-dien-2-yl]-5,11-dihydroxy-4,6,8,10,12,15-hexamethylheptadeca-8,13-dienamide is sourced from PubChem (CID 142829753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).