16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene

C33H10 — CID 22082640

About 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene

16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene (PubChem CID 22082640) has the molecular formula C33H10 and a molecular weight of 406.44 g/mol. Its IUPAC name is 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene.

Molecular Properties

• Compound Name: 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene
• PubChem CID: 22082640
• Molecular Formula: C33H10
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.08
• IUPAC Name: 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene
• SMILES: C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(C)=C=C=C=C=C=C=C=C=C=C=C=C=C=C
• InChI: InChI=1S/C33H10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(4)32(3)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h1-2H2,3-4H3
• InChIKey: RIYABTHEPWSHLG-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene?

The IUPAC name of 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene (CID 22082640) is 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene.

What is the SMILES notation for 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene?

The canonical SMILES for 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(C)=C=C=C=C=C=C=C=C=C=C=C=C=C=C.

What is the InChIKey of 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene?

The InChIKey is RIYABTHEPWSHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(4)32(3)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h1-2H2,3-4H3.

What are the key properties of 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene?

16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene has a molecular weight of 406.44 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 16,17-dimethylhentriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17,18,19,20,21,22,23,24,25,26,27,28,29,30-nonacosaene is sourced from PubChem (CID 22082640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).