2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C44H62F4O4 — CID 145151818

About 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 145151818) has the molecular formula C44H62F4O4 and a molecular weight of 730.97 g/mol. Its IUPAC name is 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

• Compound Name: 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• PubChem CID: 145151818
• Molecular Formula: C44H62F4O4
• Molecular Weight: 730.97 g/mol
• Exact Mass: 730.46
• IUPAC Name: 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• SMILES: CC(CCCOc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F)CCCOc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F
• InChI: InChI=1S/C44H62F4O4/c1-28(6-4-20-49-37-16-18-39(43(47)41(37)45)51-26-31-10-14-33-22-29(2)8-12-35(33)24-31)7-5-21-50-38-17-19-40(44(48)42(38)46)52-27-32-11-15-34-23-30(3)9-13-36(34)25-32/h16-19,28-36H,4-15,20-27H2,1-3H3
• InChIKey: DHPKVLCEPBONQH-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.97
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The IUPAC name of 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 145151818) is 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

What is the SMILES notation for 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The canonical SMILES for 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC(CCCOc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F)CCCOc1ccc(OCC2CCC3CC(C)CCC3C2)c(F)c1F.

What is the InChIKey of 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The InChIKey is DHPKVLCEPBONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62F4O4/c1-28(6-4-20-49-37-16-18-39(43(47)41(37)45)51-26-31-10-14-33-22-29(2)8-12-35(33)24-31)7-5-21-50-38-17-19-40(44(48)42(38)46)52-27-32-11-15-34-23-30(3)9-13-36(34)25-32/h16-19,28-36H,4-15,20-27H2,1-3H3.

What are the key properties of 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 730.97 g/mol, XLogP of 12.36, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[7-[2,3-difluoro-4-[(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)methoxy]phenoxy]-4-methylheptoxy]-2,3-difluorophenoxy]methyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 145151818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).