(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene

C12H19FO — CID 129196432

IUPAC(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene
SMILESC=C(/C=C\C(F)=C/COC)C(C)CC
InChIInChI=1S/C12H19FO/c1-5-10(2)11(3)6-7-12(13)8-9-14-4/h6-8,10H,3,5,9H2,1-2,4H3/b7-6-,12-8+
InChIKeyCGPCSHGPEYOMOQ-UGLNBITBSA-N
MW198.28 g/mol
LogP3.64
Rot. Bonds6

About (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene

(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene (PubChem CID 129196432) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene
PubChem CID129196432
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene
SMILESC=C(/C=C\C(F)=C/COC)C(C)CC
InChIInChI=1S/C12H19FO/c1-5-10(2)11(3)6-7-12(13)8-9-14-4/h6-8,10H,3,5,9H2,1-2,4H3/b7-6-,12-8+
InChIKeyCGPCSHGPEYOMOQ-UGLNBITBSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.64
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 (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene?
The IUPAC name of (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene (CID 129196432) is (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene?
The canonical SMILES for (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene is C=C(/C=C\C(F)=C/COC)C(C)CC.
What is the InChIKey of (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene?
The InChIKey is CGPCSHGPEYOMOQ-UGLNBITBSA-N. The full InChI is InChI=1S/C12H19FO/c1-5-10(2)11(3)6-7-12(13)8-9-14-4/h6-8,10H,3,5,9H2,1-2,4H3/b7-6-,12-8+.
What are the key properties of (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene?
(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene has a molecular weight of 198.28 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene is sourced from PubChem (CID 129196432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).