(2E,8E)-deca-2,8-dienenitrile

C10H15N — CID 129206584

IUPAC(2E,8E)-deca-2,8-dienenitrile
SMILESC/C=C/CCCC/C=C/C#N
InChIInChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h2-3,8-9H,4-7H2,1H3/b3-2+,9-8+
InChIKeyKCLICYQBOKVNCI-VHYPUYLQSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds5

About (2E,8E)-deca-2,8-dienenitrile

(2E,8E)-deca-2,8-dienenitrile (PubChem CID 129206584) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2E,8E)-deca-2,8-dienenitrile.

Molecular Properties

Compound Name(2E,8E)-deca-2,8-dienenitrile
PubChem CID129206584
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2E,8E)-deca-2,8-dienenitrile
SMILESC/C=C/CCCC/C=C/C#N
InChIInChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h2-3,8-9H,4-7H2,1H3/b3-2+,9-8+
InChIKeyKCLICYQBOKVNCI-VHYPUYLQSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
(E)-undec-2-enenitrile
CID 6538104
(2E,8Z)-undeca-2,8-dienenitrile
CID 129206614
dodeca-2,6-dienenitrile
CID 140790991
(2E,11E)-tetradeca-2,11-dienenitrile
CID 129206569
(2E,12E)-pentadeca-2,12-dienenitrile
CID 129206636
(2E,9E)-dodeca-2,9-dienenitrile
CID 129206615
(2E,6E)-trideca-2,6-dienenitrile
CID 129206622
(E)-tridec-11-enenitrile
CID 101282243
18-methylnonadec-2-enenitrile
CID 90170029
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244

Frequently Asked Questions

What is the IUPAC name of (2E,8E)-deca-2,8-dienenitrile?
The IUPAC name of (2E,8E)-deca-2,8-dienenitrile (CID 129206584) is (2E,8E)-deca-2,8-dienenitrile.
What is the SMILES notation for (2E,8E)-deca-2,8-dienenitrile?
The canonical SMILES for (2E,8E)-deca-2,8-dienenitrile is C/C=C/CCCC/C=C/C#N.
What is the InChIKey of (2E,8E)-deca-2,8-dienenitrile?
The InChIKey is KCLICYQBOKVNCI-VHYPUYLQSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h2-3,8-9H,4-7H2,1H3/b3-2+,9-8+.
What are the key properties of (2E,8E)-deca-2,8-dienenitrile?
(2E,8E)-deca-2,8-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,8E)-deca-2,8-dienenitrile is sourced from PubChem (CID 129206584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).