6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene

C14H26F2O — CID 76738459

IUPAC6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
SMILESCC(C)OCC(C)(C)CC=CC(F)(F)C(C)C
InChIInChI=1S/C14H26F2O/c1-11(2)14(15,16)9-7-8-13(5,6)10-17-12(3)4/h7,9,11-12H,8,10H2,1-6H3
InChIKeyOEAAEDDBLFFYLB-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.68
Rot. Bonds7

About 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene

6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene (PubChem CID 76738459) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene.

Molecular Properties

Compound Name6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
PubChem CID76738459
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
SMILESCC(C)OCC(C)(C)CC=CC(F)(F)C(C)C
InChIInChI=1S/C14H26F2O/c1-11(2)14(15,16)9-7-8-13(5,6)10-17-12(3)4/h7,9,11-12H,8,10H2,1-6H3
InChIKeyOEAAEDDBLFFYLB-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclopropane
CID 58275555
(E)-2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 58275557
1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclopropane
CID 58275564
(E)-6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene
CID 58275570
(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
CID 58275575
1-[(E)-4,4-difluoro-5-methylhex-2-enyl]-1-(propan-2-yloxymethyl)cyclobutane
CID 58275577
(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 58275581
(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene
CID 58275586
1-[(E)-3,3-difluoro-4-methylpent-1-enyl]-1-(propan-2-yloxymethyl)cyclobutane
CID 58275590
(E)-3,3-difluoro-2,2,8,8-tetramethyl-9-propan-2-yloxynon-4-ene
CID 58275592
(E)-5,5-difluoro-2,2,6-trimethyl-1-propan-2-yloxyhept-3-ene
CID 58275603
3-[(E)-4,4-difluoro-5-methylhex-2-enyl]-3-methyloxolane
CID 68343126

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene?
The IUPAC name of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene (CID 76738459) is 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene.
What is the SMILES notation for 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene?
The canonical SMILES for 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene is CC(C)OCC(C)(C)CC=CC(F)(F)C(C)C.
What is the InChIKey of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene?
The InChIKey is OEAAEDDBLFFYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-11(2)14(15,16)9-7-8-13(5,6)10-17-12(3)4/h7,9,11-12H,8,10H2,1-6H3.
What are the key properties of 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene?
6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene has a molecular weight of 248.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,2,7-trimethyl-1-propan-2-yloxyoct-4-ene is sourced from PubChem (CID 76738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).