(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene

C10H15FO — CID 130308041

IUPAC(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene
SMILESC/C=C\C=C/C(=C/F)CCOC
InChIInChI=1S/C10H15FO/c1-3-4-5-6-10(9-11)7-8-12-2/h3-6,9H,7-8H2,1-2H3/b4-3-,6-5-,10-9-
InChIKeyQJYCFIQUXIFYIV-BNGSOVGLSA-N
MW170.23 g/mol
LogP3.01
Rot. Bonds5

About (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene

(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene (PubChem CID 130308041) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene
PubChem CID130308041
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene
SMILESC/C=C\C=C/C(=C/F)CCOC
InChIInChI=1S/C10H15FO/c1-3-4-5-6-10(9-11)7-8-12-2/h3-6,9H,7-8H2,1-2H3/b4-3-,6-5-,10-9-
InChIKeyQJYCFIQUXIFYIV-BNGSOVGLSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene?
The IUPAC name of (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene (CID 130308041) is (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene.
What is the SMILES notation for (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene?
The canonical SMILES for (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene is C/C=C\C=C/C(=C/F)CCOC.
What is the InChIKey of (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene?
The InChIKey is QJYCFIQUXIFYIV-BNGSOVGLSA-N. The full InChI is InChI=1S/C10H15FO/c1-3-4-5-6-10(9-11)7-8-12-2/h3-6,9H,7-8H2,1-2H3/b4-3-,6-5-,10-9-.
What are the key properties of (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene?
(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene has a molecular weight of 170.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene is sourced from PubChem (CID 130308041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).