trideca-4,10-dienenitrile

C13H21N — CID 131746236

IUPACtrideca-4,10-dienenitrile
SMILESCCC=CCCCCC=CCCC#N
InChIInChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-4,9-10H,2,5-8,11-12H2,1H3
InChIKeyCHEBIGGLABZZCG-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.37
Rot. Bonds8

About trideca-4,10-dienenitrile

trideca-4,10-dienenitrile (PubChem CID 131746236) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is trideca-4,10-dienenitrile.

Molecular Properties

Compound Nametrideca-4,10-dienenitrile
PubChem CID131746236
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nametrideca-4,10-dienenitrile
SMILESCCC=CCCCCC=CCCC#N
InChIInChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-4,9-10H,2,5-8,11-12H2,1H3
InChIKeyCHEBIGGLABZZCG-UHFFFAOYSA-N
XLogP4.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.37
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

hept-4-enenitrile
CID 54322660
(4Z,8Z)-undeca-4,8-dienenitrile;(4E,8E)-undeca-4,8-dienenitrile
CID 139556590
undeca-4,8-dienenitrile
CID 131746233
(4E,6E,11E)-tetradeca-4,6,11-trienenitrile
CID 101282527
(E)-dec-7-enenitrile
CID 88850471
(E)-dec-4-enenitrile
CID 88850530
(E)-(111C)non-4-enenitrile
CID 10103223
(4E,7Z)-trideca-4,7-dienenitrile
CID 14381080
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869
3-[(E)-hexadec-13-enoxy]propanenitrile
CID 101282723
(2E,8Z)-undeca-2,8-dienenitrile
CID 129206614
(3E,16E)-nonadeca-3,16-diene
CID 157471321

Frequently Asked Questions

What is the IUPAC name of trideca-4,10-dienenitrile?
The IUPAC name of trideca-4,10-dienenitrile (CID 131746236) is trideca-4,10-dienenitrile.
What is the SMILES notation for trideca-4,10-dienenitrile?
The canonical SMILES for trideca-4,10-dienenitrile is CCC=CCCCCC=CCCC#N.
What is the InChIKey of trideca-4,10-dienenitrile?
The InChIKey is CHEBIGGLABZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-4,9-10H,2,5-8,11-12H2,1H3.
What are the key properties of trideca-4,10-dienenitrile?
trideca-4,10-dienenitrile has a molecular weight of 191.32 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-4,10-dienenitrile is sourced from PubChem (CID 131746236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).