3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene

C19H32F4O — CID 144809550

About 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene

3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene (PubChem CID 144809550) has the molecular formula C19H32F4O and a molecular weight of 352.46 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene.

Molecular Properties

• Compound Name: 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
• PubChem CID: 144809550
• Molecular Formula: C19H32F4O
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.24
• IUPAC Name: 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
• SMILES: C=C(C)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)C(C)COC(C)C
• InChI: InChI=1S/C19H32F4O/c1-12(2)18(20,21)19(22,23)17(8)15(6)10-9-14(5)16(7)11-24-13(3)4/h13-16H,1,8-11H2,2-7H3
• InChIKey: OBQNSGBWDXNCBT-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?

The IUPAC name of 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene (CID 144809550) is 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene.

What is the SMILES notation for 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?

The canonical SMILES for 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene is C=C(C)C(F)(F)C(F)(F)C(=C)C(C)CCC(C)C(C)COC(C)C.

What is the InChIKey of 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?

The InChIKey is OBQNSGBWDXNCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F4O/c1-12(2)18(20,21)19(22,23)17(8)15(6)10-9-14(5)16(7)11-24-13(3)4/h13-16H,1,8-11H2,2-7H3.

What are the key properties of 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?

3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene has a molecular weight of 352.46 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene is sourced from PubChem (CID 144809550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).