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

C15H28F2O — CID 118527056

IUPAC(E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene
SMILESCCOCC(C)(C)CCC/C=C/C(F)(F)C(C)C
InChIInChI=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+
InChIKeyXMJYIJPINNRNIA-PKNBQFBNSA-N
MW262.38 g/mol
LogP5.07
Rot. Bonds9

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 CID118527056
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name(E)-10-ethoxy-3,3-difluoro-2,9,9-trimethyldec-4-ene
SMILESCCOCC(C)(C)CCC/C=C/C(F)(F)C(C)C
InChIInChI=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+
InChIKeyXMJYIJPINNRNIA-PKNBQFBNSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).