(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile

C8H11NO2 — CID 10582967

IUPAC(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile
SMILESCOC(/C=C/C=C/C#N)OC
InChIInChI=1S/C8H11NO2/c1-10-8(11-2)6-4-3-5-7-9/h3-6,8H,1-2H3/b5-3+,6-4+
InChIKeyUPOSTHWLOJMLDT-GGWOSOGESA-N
MW153.18 g/mol
LogP1.24
Rot. Bonds4

About (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile

(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile (PubChem CID 10582967) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile
PubChem CID10582967
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile
SMILESCOC(/C=C/C=C/C#N)OC
InChIInChI=1S/C8H11NO2/c1-10-8(11-2)6-4-3-5-7-9/h3-6,8H,1-2H3/b5-3+,6-4+
InChIKeyUPOSTHWLOJMLDT-GGWOSOGESA-N
XLogP1.24
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile with MolForge

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

Launch Full Analysis

Related Compounds

9,9-dimethoxynona-1,3,5,7-tetraen-1-ol
CID 162293965
(E,4S)-4-methoxypent-2-enenitrile
CID 100950692
(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile
CID 14086796
3-methoxyprop-2-enenitrile
CID 2723755
(2E,4Z)-6-azidohepta-2,4-dienenitrile;carbon monoxide;iron
CID 11066103
[(2R,3R,4E,6E)-7-cyano-3-ethylhepta-4,6-dien-2-yl] 2-chloroacetate
CID 101130115
(2E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienenitrile
CID 102423733
(Z)-3-[[(Z)-2-cyanoethenyl]-trimethylsilyloxyamino]prop-2-enenitrile
CID 134932739
(E)-1,1,4-trimethoxybut-2-ene
CID 10486990
(2E,4S,5S)-4,5-bis(methoxymethoxy)hepta-2,6-dienenitrile
CID 102288316
dimethyl 2-[(E,2R)-4-cyanobut-3-en-2-yl]propanedioate
CID 11506731
(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid
CID 11011065

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile?
The IUPAC name of (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile (CID 10582967) is (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile is COC(/C=C/C=C/C#N)OC.
What is the InChIKey of (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile?
The InChIKey is UPOSTHWLOJMLDT-GGWOSOGESA-N. The full InChI is InChI=1S/C8H11NO2/c1-10-8(11-2)6-4-3-5-7-9/h3-6,8H,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile?
(2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile has a molecular weight of 153.18 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6,6-dimethoxyhexa-2,4-dienenitrile is sourced from PubChem (CID 10582967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).