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

C15H28F2O2 — CID 123653440

IUPAC4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
SMILESCC(C)C(F)(F)C=CCOC(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
InChIKeyUYWDWETWIRNUQR-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.44
Rot. Bonds7

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

4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene (PubChem CID 123653440) has the molecular formula C15H28F2O2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene.

Molecular Properties

Compound Name4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
PubChem CID123653440
Molecular FormulaC15H28F2O2
Molecular Weight278.38 g/mol
Exact Mass278.21
IUPAC Name4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
SMILESCC(C)C(F)(F)C=CCOC(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
InChIKeyUYWDWETWIRNUQR-UHFFFAOYSA-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'}

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

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Related Compounds

(Z)-1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-4-methylpent-2-ene
CID 57917023
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclobutane
CID 70791119
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-propan-2-yloxycyclopropane
CID 70791122
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclobutane
CID 70794062
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane
CID 70794064
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-ethoxycyclobutane
CID 70794080
1-(4,4-Difluoro-5-methylhex-2-enoxy)-2-propan-2-yloxycyclobutane
CID 77921453
1-(4,4-Difluoro-5-methylhex-2-enoxy)-2-propan-2-yloxycyclopropane
CID 77921455
(E)-4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypent-2-ene
CID 88215262
(E)-4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene
CID 88972547
(E)-1-(3-ethoxybutan-2-yloxy)-4,4-difluorohex-2-ene
CID 88975413
(E)-1-(3-ethoxybutan-2-yloxy)-4,4-difluoro-5-methylhex-2-ene
CID 88975435

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
The IUPAC name of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene (CID 123653440) is 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 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
The canonical SMILES for 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=CCOC(C)(C)COC(C)(C)C.
What is the InChIKey of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
The InChIKey is UYWDWETWIRNUQR-UHFFFAOYSA-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.
What are the key properties of 4,4-difluoro-5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyhex-2-ene?
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 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 123653440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).