(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene

C14H20F6O2 — CID 90239872

IUPAC(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
SMILESCC(C)=CCC/C(C)=C\C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C14H20F6O2/c1-10(2)5-4-6-11(3)7-12(21-8-13(15,16)17)22-9-14(18,19)20/h5,7,12H,4,6,8-9H2,1-3H3/b11-7-
InChIKeyYKUDOSKVHVSJHC-XFFZJAGNSA-N
MW334.30 g/mol
LogP5.16
Rot. Bonds8

About (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene

(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene (PubChem CID 90239872) has the molecular formula C14H20F6O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene.

Molecular Properties

Compound Name(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
PubChem CID90239872
Molecular FormulaC14H20F6O2
Molecular Weight334.30 g/mol
Exact Mass334.14
IUPAC Name(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
SMILESCC(C)=CCC/C(C)=C\C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C14H20F6O2/c1-10(2)5-4-6-11(3)7-12(21-8-13(15,16)17)22-9-14(18,19)20/h5,7,12H,4,6,8-9H2,1-3H3/b11-7-
InChIKeyYKUDOSKVHVSJHC-XFFZJAGNSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.30
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
CID 53435769
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
CID 56942415
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 90238868
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331
[(2Z)-1-methoxy-3,7-dimethylocta-2,6-dienyl]-trimethylsilane
CID 100914712
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076

Frequently Asked Questions

What is the IUPAC name of (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene?
The IUPAC name of (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene (CID 90239872) is (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene.
What is the SMILES notation for (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene?
The canonical SMILES for (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene is CC(C)=CCC/C(C)=C\C(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene?
The InChIKey is YKUDOSKVHVSJHC-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H20F6O2/c1-10(2)5-4-6-11(3)7-12(21-8-13(15,16)17)22-9-14(18,19)20/h5,7,12H,4,6,8-9H2,1-3H3/b11-7-.
What are the key properties of (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene?
(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene has a molecular weight of 334.30 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene is sourced from PubChem (CID 90239872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).