(2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene

C23H32F2O — CID 159207138

About (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene

(2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene (PubChem CID 159207138) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene.

Molecular Properties

• Compound Name: (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene
• PubChem CID: 159207138
• Molecular Formula: C23H32F2O
• Molecular Weight: 362.50 g/mol
• Exact Mass: 362.24
• IUPAC Name: (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene
• SMILES: C/C(=C\CC[C@]1(C)CCc2c(C)c(C)c(C)c(C)c2O1)CCC=C(F)F
• InChI: InChI=1S/C23H32F2O/c1-15(9-7-11-21(24)25)10-8-13-23(6)14-12-20-18(4)16(2)17(3)19(5)22(20)26-23/h10-11H,7-9,12-14H2,1-6H3/b15-10+/t23-/m1/s1
• InChIKey: UURCDCOZZMNYIA-WIJYMUHASA-N
• XLogP: 7.29
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.50
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene?

The IUPAC name of (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene (CID 159207138) is (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene.

What is the SMILES notation for (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene?

The canonical SMILES for (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene is C/C(=C\CC[C@]1(C)CCc2c(C)c(C)c(C)c(C)c2O1)CCC=C(F)F.

What is the InChIKey of (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene?

The InChIKey is UURCDCOZZMNYIA-WIJYMUHASA-N. The full InChI is InChI=1S/C23H32F2O/c1-15(9-7-11-21(24)25)10-8-13-23(6)14-12-20-18(4)16(2)17(3)19(5)22(20)26-23/h10-11H,7-9,12-14H2,1-6H3/b15-10+/t23-/m1/s1.

What are the key properties of (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene?

(2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene has a molecular weight of 362.50 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(3E)-8,8-difluoro-4-methylocta-3,7-dienyl]-2,5,6,7,8-pentamethyl-3,4-dihydrochromene is sourced from PubChem (CID 159207138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).