(3E,5E)-3-fluoro-5-methoxyocta-3,5-diene

C9H15FO — CID 134593696

IUPAC(3E,5E)-3-fluoro-5-methoxyocta-3,5-diene
SMILESCC/C=C(\C=C(\F)CC)OC
InChIInChI=1S/C9H15FO/c1-4-6-9(11-3)7-8(10)5-2/h6-7H,4-5H2,1-3H3/b8-7+,9-6+
InChIKeyYBBYNLNXUGXLQF-KHHFIZIMSA-N
MW158.22 g/mol
LogP3.19
Rot. Bonds4

About (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene

(3E,5E)-3-fluoro-5-methoxyocta-3,5-diene (PubChem CID 134593696) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-3-fluoro-5-methoxyocta-3,5-diene
PubChem CID134593696
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(3E,5E)-3-fluoro-5-methoxyocta-3,5-diene
SMILESCC/C=C(\C=C(\F)CC)OC
InChIInChI=1S/C9H15FO/c1-4-6-9(11-3)7-8(10)5-2/h6-7H,4-5H2,1-3H3/b8-7+,9-6+
InChIKeyYBBYNLNXUGXLQF-KHHFIZIMSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene?
The IUPAC name of (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene (CID 134593696) is (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene.
What is the SMILES notation for (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene?
The canonical SMILES for (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene is CC/C=C(\C=C(\F)CC)OC.
What is the InChIKey of (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene?
The InChIKey is YBBYNLNXUGXLQF-KHHFIZIMSA-N. The full InChI is InChI=1S/C9H15FO/c1-4-6-9(11-3)7-8(10)5-2/h6-7H,4-5H2,1-3H3/b8-7+,9-6+.
What are the key properties of (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene?
(3E,5E)-3-fluoro-5-methoxyocta-3,5-diene has a molecular weight of 158.22 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-fluoro-5-methoxyocta-3,5-diene is sourced from PubChem (CID 134593696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).