(3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene

C17H23FO — CID 134345569

IUPAC(3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene
SMILESC=C/C(C)=C\C/C=C(\C=C)OC(=C/C)/C(F)=C\CC
InChIInChI=1S/C17H23FO/c1-6-11-16(18)17(9-4)19-15(8-3)13-10-12-14(5)7-2/h7-9,11-13H,2-3,6,10H2,1,4-5H3/b14-12-,15-13+,16-11+,17-9+
InChIKeyKKOLQXOVWIGREE-WGMPWXLASA-N
MW262.37 g/mol
LogP5.76
Rot. Bonds8

About (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene

(3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene (PubChem CID 134345569) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene
PubChem CID134345569
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name(3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene
SMILESC=C/C(C)=C\C/C=C(\C=C)OC(=C/C)/C(F)=C\CC
InChIInChI=1S/C17H23FO/c1-6-11-16(18)17(9-4)19-15(8-3)13-10-12-14(5)7-2/h7-9,11-13H,2-3,6,10H2,1,4-5H3/b14-12-,15-13+,16-11+,17-9+
InChIKeyKKOLQXOVWIGREE-WGMPWXLASA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-isopropenyl-2H-pyran
CID 636526
2,4-Dimethyl-6-methylidenepyran
CID 20660053
2-[Difluoro-(3,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)methoxy]-5,7,7-trimethylcyclohepta-1,3,5-triene
CID 71110246
(3E)-4-fluoro-2,6-dimethyl-5-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 88053607
(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
CID 89146626
(3Z,5Z)-5-methyl-2-(trifluoromethoxy)hepta-1,3,5-triene
CID 89220895
(2Z,4E)-3-methyl-4-(trifluoromethoxy)hexa-2,4-diene
CID 89672815
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
4-Fluoro-2,2,6-trimethylpyran
CID 118281606
4-Fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene
CID 123173749
6-Methyl-3-(5-methylhepta-2,4,6-trien-2-yloxy)-5-(trifluoromethoxy)hepta-1,3,5-triene
CID 123246166
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene?
The IUPAC name of (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene (CID 134345569) is (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene.
What is the SMILES notation for (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene?
The canonical SMILES for (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene is C=C/C(C)=C\C/C=C(\C=C)OC(=C/C)/C(F)=C\CC.
What is the InChIKey of (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene?
The InChIKey is KKOLQXOVWIGREE-WGMPWXLASA-N. The full InChI is InChI=1S/C17H23FO/c1-6-11-16(18)17(9-4)19-15(8-3)13-10-12-14(5)7-2/h7-9,11-13H,2-3,6,10H2,1,4-5H3/b14-12-,15-13+,16-11+,17-9+.
What are the key properties of (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene?
(3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene has a molecular weight of 262.37 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxy-7-methylnona-1,3,6,8-tetraene is sourced from PubChem (CID 134345569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).