(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene

C15H28F2O2 — CID 88972547

IUPAC(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
SMILESCC(C)C(F)(F)/C=C/COC(C)(C)COC(C)(C)C
InChIInChI=1S/C15H28F2O2/c1-12(2)15(16,17)9-8-10-18-14(6,7)11-19-13(3,4)5/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKeyUYWDWETWIRNUQR-CMDGGOBGSA-N
MW278.38 g/mol
LogP4.44
Rot. Bonds7

About (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene

(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene (PubChem CID 88972547) has the molecular formula C15H28F2O2 and a molecular weight of 278.38 g/mol. Its IUPAC name is (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene.

Molecular Properties

Compound Name(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
PubChem CID88972547
Molecular FormulaC15H28F2O2
Molecular Weight278.38 g/mol
Exact Mass278.21
IUPAC Name(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
SMILESCC(C)C(F)(F)/C=C/COC(C)(C)COC(C)(C)C
InChIInChI=1S/C15H28F2O2/c1-12(2)15(16,17)9-8-10-18-14(6,7)11-19-13(3,4)5/h8-9,12H,10-11H2,1-7H3/b9-8+
InChIKeyUYWDWETWIRNUQR-CMDGGOBGSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
The IUPAC name of (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene (CID 88972547) is (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene.
What is the SMILES notation for (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
The canonical SMILES for (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene is CC(C)C(F)(F)/C=C/COC(C)(C)COC(C)(C)C.
What is the InChIKey of (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
The InChIKey is UYWDWETWIRNUQR-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H28F2O2/c1-12(2)15(16,17)9-8-10-18-14(6,7)11-19-13(3,4)5/h8-9,12H,10-11H2,1-7H3/b9-8+.
What are the key properties of (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene has a molecular weight of 278.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene is sourced from PubChem (CID 88972547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).