(3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene

C18H25F — CID 166676036

IUPAC(3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene
SMILESC=C/C=C(C=C/C(F)=C(/CC)C(=C)C)\C=C(/C)CC
InChIInChI=1S/C18H25F/c1-7-10-16(13-15(6)8-2)11-12-18(19)17(9-3)14(4)5/h7,10-13H,1,4,8-9H2,2-3,5-6H3/b12-11?,15-13+,16-10-,18-17+
InChIKeyNJPDZXTWTWBEQY-LKPGRRBVSA-N
MW260.40 g/mol
LogP6.22
Rot. Bonds7

About (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene

(3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene (PubChem CID 166676036) has the molecular formula C18H25F and a molecular weight of 260.40 g/mol. Its IUPAC name is (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name(3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene
PubChem CID166676036
Molecular FormulaC18H25F
Molecular Weight260.40 g/mol
Exact Mass260.19
IUPAC Name(3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene
SMILESC=C/C=C(C=C/C(F)=C(/CC)C(=C)C)\C=C(/C)CC
InChIInChI=1S/C18H25F/c1-7-10-16(13-15(6)8-2)11-12-18(19)17(9-3)14(4)5/h7,10-13H,1,4,8-9H2,2-3,5-6H3/b12-11?,15-13+,16-10-,18-17+
InChIKeyNJPDZXTWTWBEQY-LKPGRRBVSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.40
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene with MolForge

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Related Compounds

(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(3E)-4-fluorohexa-1,3-diene
CID 88586520
(3E,5E)-6-methyl-4-prop-1-ynylocta-1,3,5-triene
CID 143502178
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
CID 138613612
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079

Frequently Asked Questions

What is the IUPAC name of (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene?
The IUPAC name of (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene (CID 166676036) is (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene.
What is the SMILES notation for (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene?
The canonical SMILES for (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene is C=C/C=C(C=C/C(F)=C(/CC)C(=C)C)\C=C(/C)CC.
What is the InChIKey of (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene?
The InChIKey is NJPDZXTWTWBEQY-LKPGRRBVSA-N. The full InChI is InChI=1S/C18H25F/c1-7-10-16(13-15(6)8-2)11-12-18(19)17(9-3)14(4)5/h7,10-13H,1,4,8-9H2,2-3,5-6H3/b12-11?,15-13+,16-10-,18-17+.
What are the key properties of (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene?
(3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene has a molecular weight of 260.40 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z,8E)-3-ethyl-4-fluoro-2,9-dimethyl-7-prop-2-enylideneundeca-1,3,5,8-tetraene is sourced from PubChem (CID 166676036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).