(E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene

C11H19FO — CID 129130011

IUPAC(E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene
SMILESC=C(/C=C/C(C)(CC)OC)CCF
InChIInChI=1S/C11H19FO/c1-5-11(3,13-4)8-6-10(2)7-9-12/h6,8H,2,5,7,9H2,1,3-4H3/b8-6+
InChIKeyXXTYPXHNOVOCEK-SOFGYWHQSA-N
MW186.27 g/mol
LogP3.27
Rot. Bonds6

About (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene

(E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene (PubChem CID 129130011) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene.

Molecular Properties

Compound Name(E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene
PubChem CID129130011
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene
SMILESC=C(/C=C/C(C)(CC)OC)CCF
InChIInChI=1S/C11H19FO/c1-5-11(3,13-4)8-6-10(2)7-9-12/h6,8H,2,5,7,9H2,1,3-4H3/b8-6+
InChIKeyXXTYPXHNOVOCEK-SOFGYWHQSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.27
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 (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene?
The IUPAC name of (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene (CID 129130011) is (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene.
What is the SMILES notation for (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene?
The canonical SMILES for (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene is C=C(/C=C/C(C)(CC)OC)CCF.
What is the InChIKey of (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene?
The InChIKey is XXTYPXHNOVOCEK-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19FO/c1-5-11(3,13-4)8-6-10(2)7-9-12/h6,8H,2,5,7,9H2,1,3-4H3/b8-6+.
What are the key properties of (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene?
(E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene has a molecular weight of 186.27 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-6-methoxy-6-methyl-3-methylideneoct-4-ene is sourced from PubChem (CID 129130011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).