2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine

C25H33NO2 — CID 72608180

IUPAC2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine
SMILESCOOCc1ccc(C(C)=Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1
InChIInChI=1S/C25H33NO2/c1-17(19-8-9-21(26-15-19)16-28-27-7)12-20-14-23-22(13-18(20)2)24(3,4)10-11-25(23,5)6/h8-9,12-15H,10-11,16H2,1-7H3
InChIKeyDWBAWLZXCHMSLU-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.38
Rot. Bonds5

About 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine

2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine (PubChem CID 72608180) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine.

Molecular Properties

Compound Name2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine
PubChem CID72608180
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine
SMILESCOOCc1ccc(C(C)=Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1
InChIInChI=1S/C25H33NO2/c1-17(19-8-9-21(26-15-19)16-28-27-7)12-20-14-23-22(13-18(20)2)24(3,4)10-11-25(23,5)6/h8-9,12-15H,10-11,16H2,1-7H3
InChIKeyDWBAWLZXCHMSLU-UHFFFAOYSA-N
XLogP6.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?
The IUPAC name of 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine (CID 72608180) is 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine.
What is the SMILES notation for 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?
The canonical SMILES for 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine is COOCc1ccc(C(C)=Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1.
What is the InChIKey of 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?
The InChIKey is DWBAWLZXCHMSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17(19-8-9-21(26-15-19)16-28-27-7)12-20-14-23-22(13-18(20)2)24(3,4)10-11-25(23,5)6/h8-9,12-15H,10-11,16H2,1-7H3.
What are the key properties of 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine?
2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine has a molecular weight of 379.54 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylperoxymethyl)-5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 72608180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).