(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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Related Compounds

1-Methoxy-2,6-dimethylocta-2,7-diene
CID 54286528
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
CID 88998018
(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
CID 89312914
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
3-(2,2-Difluorobutoxy)-7-methyl-6-methylideneocta-2,4-diene
CID 91231528
(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene
CID 91350646
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
5-Fluoro-2-(methoxymethyl)cyclohexa-1,3-diene
CID 117790550
(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
CID 118190307
(4-Fluoro-1-propoxyhepta-2,4,6-trien-2-yl)cyclopropane
CID 123429547

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).