(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene

C11H17F — CID 87152718

IUPAC(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene
SMILESCC/C(C)=C/C(F)=C\C=C(C)C
InChIInChI=1S/C11H17F/c1-5-10(4)8-11(12)7-6-9(2)3/h6-8H,5H2,1-4H3/b10-8+,11-7+
InChIKeyLLTZGTJSCHXZFU-VTTRTIMMSA-N
MW168.25 g/mol
LogP4.16
Rot. Bonds3

About (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene

(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene (PubChem CID 87152718) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene.

Molecular Properties

Compound Name(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene
PubChem CID87152718
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene
SMILESCC/C(C)=C/C(F)=C\C=C(C)C
InChIInChI=1S/C11H17F/c1-5-10(4)8-11(12)7-6-9(2)3/h6-8H,5H2,1-4H3/b10-8+,11-7+
InChIKeyLLTZGTJSCHXZFU-VTTRTIMMSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Alloocimene, (4E,6Z)-
CID 5371125
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
Artemisia triene
CID 5320377
Alloocimene, (4Z,6Z)-
CID 5317469
2,4-Dimethylpenta-1,3-diene
CID 66080
2,6-Dimethyl-2,5-heptadiene
CID 521945

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene?
The IUPAC name of (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene (CID 87152718) is (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene.
What is the SMILES notation for (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene?
The canonical SMILES for (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene is CC/C(C)=C/C(F)=C\C=C(C)C.
What is the InChIKey of (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene?
The InChIKey is LLTZGTJSCHXZFU-VTTRTIMMSA-N. The full InChI is InChI=1S/C11H17F/c1-5-10(4)8-11(12)7-6-9(2)3/h6-8H,5H2,1-4H3/b10-8+,11-7+.
What are the key properties of (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene?
(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene has a molecular weight of 168.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene is sourced from PubChem (CID 87152718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).