(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile

C22H34N2 — CID 139556590

IUPAC(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
SMILESCC/C=C/CC/C=C/CCC#N.CC/C=C\CC/C=C\CCC#N
InChIInChI=1S/2C11H17N/c2*1-2-3-4-5-6-7-8-9-10-11-12/h2*3-4,7-8H,2,5-6,9-10H2,1H3/b4-3+,8-7+;4-3-,8-7-
InChIKeyYVVIEVFIZNIJHO-ODRXEHGWSA-N
MW326.53 g/mol
LogP7.19
Rot. Bonds12

About (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile

(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile (PubChem CID 139556590) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile.

Molecular Properties

Compound Name(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
PubChem CID139556590
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
SMILESCC/C=C/CC/C=C/CCC#N.CC/C=C\CC/C=C\CCC#N
InChIInChI=1S/2C11H17N/c2*1-2-3-4-5-6-7-8-9-10-11-12/h2*3-4,7-8H,2,5-6,9-10H2,1H3/b4-3+,8-7+;4-3-,8-7-
InChIKeyYVVIEVFIZNIJHO-ODRXEHGWSA-N
XLogP7.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

undeca-4,8-dienenitrile
CID 131746233
hept-4-enenitrile
CID 54322660
trideca-4,10-dienenitrile
CID 131746236
(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
CID 101282527
(E)-dec-7-enenitrile
CID 88850471
(E)-(111C)non-4-enenitrile
CID 10103223
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-dec-4-enenitrile
CID 88850530
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
7-methylnon-4-enenitrile
CID 123692329
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile?
The IUPAC name of (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile (CID 139556590) is (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile.
What is the SMILES notation for (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile?
The canonical SMILES for (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile is CC/C=C/CC/C=C/CCC#N.CC/C=C\CC/C=C\CCC#N.
What is the InChIKey of (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile?
The InChIKey is YVVIEVFIZNIJHO-ODRXEHGWSA-N. The full InChI is InChI=1S/2C11H17N/c2*1-2-3-4-5-6-7-8-9-10-11-12/h2*3-4,7-8H,2,5-6,9-10H2,1H3/b4-3+,8-7+;4-3-,8-7-.
What are the key properties of (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile?
(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile has a molecular weight of 326.53 g/mol, XLogP of 7.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile is sourced from PubChem (CID 139556590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).