(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene

C11H17FO — CID 145173234

IUPAC(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene
SMILESC=C(/C=C(/F)C(=C)OC)CC(C)C
InChIInChI=1S/C11H17FO/c1-8(2)6-9(3)7-11(12)10(4)13-5/h7-8H,3-4,6H2,1-2,5H3/b11-7+
InChIKeyXHYBXGUHQJXYGL-YRNVUSSQSA-N
MW184.25 g/mol
LogP3.60
Rot. Bonds5

About (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene

(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene (PubChem CID 145173234) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene
PubChem CID145173234
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene
SMILESC=C(/C=C(/F)C(=C)OC)CC(C)C
InChIInChI=1S/C11H17FO/c1-8(2)6-9(3)7-11(12)10(4)13-5/h7-8H,3-4,6H2,1-2,5H3/b11-7+
InChIKeyXHYBXGUHQJXYGL-YRNVUSSQSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene?
The IUPAC name of (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene (CID 145173234) is (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene?
The canonical SMILES for (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene is C=C(/C=C(/F)C(=C)OC)CC(C)C.
What is the InChIKey of (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene?
The InChIKey is XHYBXGUHQJXYGL-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H17FO/c1-8(2)6-9(3)7-11(12)10(4)13-5/h7-8H,3-4,6H2,1-2,5H3/b11-7+.
What are the key properties of (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene?
(3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-2-methoxy-7-methyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 145173234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).