(E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene

C₁₅H₂₈F₂O — CID 118527056

About (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene

(E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene (PubChem CID 118527056) has the molecular formula C₁₅H₂₈F₂O and a molecular weight of 262.38 g/mol. Its IUPAC name is (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene.

Molecular Properties

• Compound Name: (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene
• PubChem CID: 118527056
• Molecular Formula: C₁₅H₂₈F₂O
• Molecular Weight: 262.38 g/mol
• Exact Mass: 262.21
• IUPAC Name: (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene
• SMILES: CCOCC(C)(C)CCC/C=C/C(F)(F)C(C)C
• InChI: InChI=1S/C15H28F2O/c1-6-18-12-14(4,5)10-8-7-9-11-15(16,17)13(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b11-9+
• InChIKey: XMJYIJPINNRNIA-PKNBQFBNSA-N
• XLogP: 5.07
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	262.38
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene?

The IUPAC name of (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene (CID 118527056) is (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene.

What is the SMILES notation for (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene?

The canonical SMILES for (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene is CCOCC(C)(C)CCC/C=C/C(F)(F)C(C)C.

What is the InChIKey of (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene?

The InChIKey is XMJYIJPINNRNIA-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H28F2O/c1-6-18-12-14(4,5)10-8-7-9-11-15(16,17)13(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b11-9+.

What are the key properties of (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene?

(E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene has a molecular weight of 262.38 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene is sourced from PubChem (CID 118527056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118527056 — identifiers, structure, computed properties (public domain)

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