(4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile

C11H15NO — CID 118303930

IUPAC(4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile
SMILESC=C(/C=C(C)\C(=C/C)OC)CC#N
InChIInChI=1S/C11H15NO/c1-5-11(13-4)10(3)8-9(2)6-7-12/h5,8H,2,6H2,1,3-4H3/b10-8-,11-5+
InChIKeyLKKQUMXZZHKAHF-JMOSYQDSSA-N
MW177.25 g/mol
LogP2.95
Rot. Bonds4

About (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile

(4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile (PubChem CID 118303930) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile.

Molecular Properties

Compound Name(4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile
PubChem CID118303930
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile
SMILESC=C(/C=C(C)\C(=C/C)OC)CC#N
InChIInChI=1S/C11H15NO/c1-5-11(13-4)10(3)8-9(2)6-7-12/h5,8H,2,6H2,1,3-4H3/b10-8-,11-5+
InChIKeyLKKQUMXZZHKAHF-JMOSYQDSSA-N
XLogP2.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile?
The IUPAC name of (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile (CID 118303930) is (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile.
What is the SMILES notation for (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile?
The canonical SMILES for (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile is C=C(/C=C(C)\C(=C/C)OC)CC#N.
What is the InChIKey of (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile?
The InChIKey is LKKQUMXZZHKAHF-JMOSYQDSSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-11(13-4)10(3)8-9(2)6-7-12/h5,8H,2,6H2,1,3-4H3/b10-8-,11-5+.
What are the key properties of (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile?
(4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-methoxy-5-methyl-3-methylideneocta-4,6-dienenitrile is sourced from PubChem (CID 118303930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).