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

C11H17FO — CID 129196380

IUPAC(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene
SMILESC=C(/C=C\C(F)=C/COC)C(C)C
InChIInChI=1S/C11H17FO/c1-9(2)10(3)5-6-11(12)7-8-13-4/h5-7,9H,3,8H2,1-2,4H3/b6-5-,11-7+
InChIKeyOIIBPKNKAFVXIN-GNLLZQBYSA-N
MW184.25 g/mol
LogP3.25
Rot. Bonds5

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

(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene (PubChem CID 129196380) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene
PubChem CID129196380
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene
SMILESC=C(/C=C\C(F)=C/COC)C(C)C
InChIInChI=1S/C11H17FO/c1-9(2)10(3)5-6-11(12)7-8-13-4/h5-7,9H,3,8H2,1-2,4H3/b6-5-,11-7+
InChIKeyOIIBPKNKAFVXIN-GNLLZQBYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.25
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-methylideneocta-2,4-diene?
The IUPAC name of (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene (CID 129196380) is (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene is C=C(/C=C\C(F)=C/COC)C(C)C.
What is the InChIKey of (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene?
The InChIKey is OIIBPKNKAFVXIN-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H17FO/c1-9(2)10(3)5-6-11(12)7-8-13-4/h5-7,9H,3,8H2,1-2,4H3/b6-5-,11-7+.
What are the key properties of (2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene?
(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylideneocta-2,4-diene has a molecular weight of 184.25 g/mol, XLogP of 3.25, 5 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-methylideneocta-2,4-diene is sourced from PubChem (CID 129196380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).