5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine

C23H29NO2 — CID 59963132

About 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine

5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine (PubChem CID 59963132) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine.

Molecular Properties

• Compound Name: 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine
• PubChem CID: 59963132
• Molecular Formula: C23H29NO2
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.22
• IUPAC Name: 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine
• SMILES: C/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(COO)cn1
• InChI: InChI=1S/C23H29NO2/c1-16(21-9-7-18(14-24-21)15-26-25)12-17-6-8-19-20(13-17)23(4,5)11-10-22(19,2)3/h6-9,12-14,25H,10-11,15H2,1-5H3/b16-12-
• InChIKey: UYGYGMTVQUGJMH-VBKFSLOCSA-N
• XLogP: 5.98
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?

The IUPAC name of 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine (CID 59963132) is 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine.

What is the SMILES notation for 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?

The canonical SMILES for 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine is C/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(COO)cn1.

What is the InChIKey of 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?

The InChIKey is UYGYGMTVQUGJMH-VBKFSLOCSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(21-9-7-18(14-24-21)15-26-25)12-17-6-8-19-20(13-17)23(4,5)11-10-22(19,2)3/h6-9,12-14,25H,10-11,15H2,1-5H3/b16-12-.

What are the key properties of 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?

5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine has a molecular weight of 351.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(hydroperoxymethyl)-2-[(Z)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 59963132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).