3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene

C23H36O4 — CID 20660081

IUPAC3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene
SMILESCCCC1(C)CCc2c3c(c(C)c(C)c2O1)OC(C)(CCCOOC)CC3
InChIInChI=1S/C23H36O4/c1-7-11-22(4)13-9-18-19-10-14-23(5,12-8-15-25-24-6)27-21(19)17(3)16(2)20(18)26-22/h7-15H2,1-6H3
InChIKeyKGCVMRPGMOCNKW-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.63
Rot. Bonds7

About 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene

3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene (PubChem CID 20660081) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene.

Molecular Properties

Compound Name3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene
PubChem CID20660081
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Name3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene
SMILESCCCC1(C)CCc2c3c(c(C)c(C)c2O1)OC(C)(CCCOOC)CC3
InChIInChI=1S/C23H36O4/c1-7-11-22(4)13-9-18-19-10-14-23(5,12-8-15-25-24-6)27-21(19)17(3)16(2)20(18)26-22/h7-15H2,1-6H3
InChIKeyKGCVMRPGMOCNKW-UHFFFAOYSA-N
XLogP5.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene?
The IUPAC name of 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene (CID 20660081) is 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene.
What is the SMILES notation for 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene?
The canonical SMILES for 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene is CCCC1(C)CCc2c3c(c(C)c(C)c2O1)OC(C)(CCCOOC)CC3.
What is the InChIKey of 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene?
The InChIKey is KGCVMRPGMOCNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O4/c1-7-11-22(4)13-9-18-19-10-14-23(5,12-8-15-25-24-6)27-21(19)17(3)16(2)20(18)26-22/h7-15H2,1-6H3.
What are the key properties of 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene?
3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene has a molecular weight of 376.54 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8-tetramethyl-3-(3-methylperoxypropyl)-8-propyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene is sourced from PubChem (CID 20660081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).