5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene

C24H38F6O — CID 123246675

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene
SMILESCC1C=C(C(CC(C)(C)C)C(C)(C)C)C=CC1C(OC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H38F6O/c1-15-13-16(18(20(5,6)7)14-19(2,3)4)11-12-17(15)22(23(25,26)27,24(28,29)30)31-21(8,9)10/h11-13,15,17-18H,14H2,1-10H3
InChIKeyXRNXCZHSMGBGKA-UHFFFAOYSA-N
MW456.56 g/mol
LogP8.51
Rot. Bonds4

About 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene

5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene (PubChem CID 123246675) has the molecular formula C24H38F6O and a molecular weight of 456.56 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene
PubChem CID123246675
Molecular FormulaC24H38F6O
Molecular Weight456.56 g/mol
Exact Mass456.28
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene
SMILESCC1C=C(C(CC(C)(C)C)C(C)(C)C)C=CC1C(OC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H38F6O/c1-15-13-16(18(20(5,6)7)14-19(2,3)4)11-12-17(15)22(23(25,26)27,24(28,29)30)31-21(8,9)10/h11-13,15,17-18H,14H2,1-10H3
InChIKeyXRNXCZHSMGBGKA-UHFFFAOYSA-N
XLogP8.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene (CID 123246675) is 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene is CC1C=C(C(CC(C)(C)C)C(C)(C)C)C=CC1C(OC(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene?
The InChIKey is XRNXCZHSMGBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F6O/c1-15-13-16(18(20(5,6)7)14-19(2,3)4)11-12-17(15)22(23(25,26)27,24(28,29)30)31-21(8,9)10/h11-13,15,17-18H,14H2,1-10H3.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene?
5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene has a molecular weight of 456.56 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 123246675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).