undeca-4,8-dienenitrile

C11H17N — CID 131746233

IUPACundeca-4,8-dienenitrile
SMILESCCC=CCCC=CCCC#N
InChIInChI=1S/C11H17N/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyRELBXKAKWKWLMK-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.59
Rot. Bonds6

About undeca-4,8-dienenitrile

undeca-4,8-dienenitrile (PubChem CID 131746233) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is undeca-4,8-dienenitrile.

Molecular Properties

Compound Nameundeca-4,8-dienenitrile
PubChem CID131746233
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameundeca-4,8-dienenitrile
SMILESCCC=CCCC=CCCC#N
InChIInChI=1S/C11H17N/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyRELBXKAKWKWLMK-UHFFFAOYSA-N
XLogP3.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
CID 139556590
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 undeca-4,8-dienenitrile?
The IUPAC name of undeca-4,8-dienenitrile (CID 131746233) is undeca-4,8-dienenitrile.
What is the SMILES notation for undeca-4,8-dienenitrile?
The canonical SMILES for undeca-4,8-dienenitrile is CCC=CCCC=CCCC#N.
What is the InChIKey of undeca-4,8-dienenitrile?
The InChIKey is RELBXKAKWKWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of undeca-4,8-dienenitrile?
undeca-4,8-dienenitrile has a molecular weight of 163.26 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-4,8-dienenitrile is sourced from PubChem (CID 131746233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).