(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene

C11H17FO — CID 145318056

IUPAC(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene
SMILESC/C=C(F)\C(C)=C/C=C/CCOC
InChIInChI=1S/C11H17FO/c1-4-11(12)10(2)8-6-5-7-9-13-3/h4-6,8H,7,9H2,1-3H3/b6-5+,10-8-,11-4+
InChIKeyVRWPABUYDCOUJI-ABFVCOBNSA-N
MW184.25 g/mol
LogP3.40
Rot. Bonds5

About (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene

(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene (PubChem CID 145318056) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene.

Molecular Properties

Compound Name(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene
PubChem CID145318056
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene
SMILESC/C=C(F)\C(C)=C/C=C/CCOC
InChIInChI=1S/C11H17FO/c1-4-11(12)10(2)8-6-5-7-9-13-3/h4-6,8H,7,9H2,1-3H3/b6-5+,10-8-,11-4+
InChIKeyVRWPABUYDCOUJI-ABFVCOBNSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
2-Ethenyl-3-fluoro-5-(2-methoxyethyl)cyclohepta-1,3,5-triene
CID 129180605
(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene
CID 130308041
(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene
CID 130390103
(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene
CID 134365653
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane
CID 143337132
ethane;(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene
CID 143342367
[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl] hypofluorite
CID 143370205
[(2E,3Z)-2-ethylidenehexa-3,5-dienyl] hypofluorite
CID 143873203
[(2E)-2-ethenyl-4-methylpenta-2,4-dienyl] hypofluorite
CID 143959247
3-Fluoro-4-(2-methoxyethyl)cyclohepta-1,3,5-triene
CID 144084645
ethane;(3Z,5Z)-5-methylhepta-1,3,5-triene;trifluoro(methoxy)methane
CID 144106275

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene?
The IUPAC name of (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene (CID 145318056) is (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene.
What is the SMILES notation for (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene?
The canonical SMILES for (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene is C/C=C(F)\C(C)=C/C=C/CCOC.
What is the InChIKey of (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene?
The InChIKey is VRWPABUYDCOUJI-ABFVCOBNSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-11(12)10(2)8-6-5-7-9-13-3/h4-6,8H,7,9H2,1-3H3/b6-5+,10-8-,11-4+.
What are the key properties of (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene?
(2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene has a molecular weight of 184.25 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-3-fluoro-9-methoxy-4-methylnona-2,4,6-triene is sourced from PubChem (CID 145318056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).