(2E,4E)-deca-2,4-dienenitrile

C10H15N — CID 12636341

IUPAC(2E,4E)-deca-2,4-dienenitrile
SMILESCCCCC/C=C/C=C/C#N
InChIInChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeyOCCWUGKWQBJOSW-BLHCBFLLSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds5

About (2E,4E)-deca-2,4-dienenitrile

(2E,4E)-deca-2,4-dienenitrile (PubChem CID 12636341) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2E,4E)-deca-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-deca-2,4-dienenitrile
PubChem CID12636341
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2E,4E)-deca-2,4-dienenitrile
SMILESCCCCC/C=C/C=C/C#N
InChIInChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeyOCCWUGKWQBJOSW-BLHCBFLLSA-N
XLogP3.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Nonadienenitrile
CID 105392
2-Tridecenenitrile
CID 90818
2-Nonenenitrile
CID 6438193
2-Undecenenitrile
CID 90817
(E)-non-2-enenitrile
CID 5363118
2-Tridecenenitrile, (2E)-
CID 6538105
2-Decenenitrile
CID 106459
(2E,4E,6E,9E)-trideca-2,4,6,9-tetraenenitrile
CID 57391169
Dec-2-enenitrile
CID 6504497
(E)-hept-2-enenitrile
CID 6187413
3-(Cyclopent-1-en-1-yl)prop-2-enenitrile
CID 135001707
Non-2-enenitrile
CID 119859

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-deca-2,4-dienenitrile?
The IUPAC name of (2E,4E)-deca-2,4-dienenitrile (CID 12636341) is (2E,4E)-deca-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-deca-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-deca-2,4-dienenitrile is CCCCC/C=C/C=C/C#N.
What is the InChIKey of (2E,4E)-deca-2,4-dienenitrile?
The InChIKey is OCCWUGKWQBJOSW-BLHCBFLLSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h6-9H,2-5H2,1H3/b7-6+,9-8+.
What are the key properties of (2E,4E)-deca-2,4-dienenitrile?
(2E,4E)-deca-2,4-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-deca-2,4-dienenitrile is sourced from PubChem (CID 12636341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).