(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'}

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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).