(4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene

C15H23F — CID 134517712

IUPAC(4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene
SMILESC=C(C)C/C=C(F)\C=C/C/C(=C\C)C(C)C
InChIInChI=1S/C15H23F/c1-6-14(13(4)5)8-7-9-15(16)11-10-12(2)3/h6-7,9,11,13H,2,8,10H2,1,3-5H3/b9-7-,14-6+,15-11+
InChIKeyMPPBYOYMDWWGKE-ALNFHKIESA-N
MW222.35 g/mol
LogP5.35
Rot. Bonds6

About (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene

(4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene (PubChem CID 134517712) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene.

Molecular Properties

Compound Name(4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene
PubChem CID134517712
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name(4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene
SMILESC=C(C)C/C=C(F)\C=C/C/C(=C\C)C(C)C
InChIInChI=1S/C15H23F/c1-6-14(13(4)5)8-7-9-15(16)11-10-12(2)3/h6-7,9,11,13H,2,8,10H2,1,3-5H3/b9-7-,14-6+,15-11+
InChIKeyMPPBYOYMDWWGKE-ALNFHKIESA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.35
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene?
The IUPAC name of (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene (CID 134517712) is (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene.
What is the SMILES notation for (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene?
The canonical SMILES for (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene is C=C(C)C/C=C(F)\C=C/C/C(=C\C)C(C)C.
What is the InChIKey of (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene?
The InChIKey is MPPBYOYMDWWGKE-ALNFHKIESA-N. The full InChI is InChI=1S/C15H23F/c1-6-14(13(4)5)8-7-9-15(16)11-10-12(2)3/h6-7,9,11,13H,2,8,10H2,1,3-5H3/b9-7-,14-6+,15-11+.
What are the key properties of (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene?
(4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene has a molecular weight of 222.35 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z,9E)-5-fluoro-2-methyl-9-propan-2-ylundeca-1,4,6,9-tetraene is sourced from PubChem (CID 134517712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).