(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile

C15H23N — CID 11830898

IUPAC(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile
SMILESCC(C)=CCC/C(C)=C/C=C(\C#N)C(C)C
InChIInChI=1S/C15H23N/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9-10,13H,6,8H2,1-5H3/b14-9+,15-10+
InChIKeyMGCHMIBVAYUNEC-AOEKMSOUSA-N
MW217.36 g/mol
LogP4.79
Rot. Bonds5

About (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile

(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile (PubChem CID 11830898) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile.

Molecular Properties

Compound Name(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile
PubChem CID11830898
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile
SMILESCC(C)=CCC/C(C)=C/C=C(\C#N)C(C)C
InChIInChI=1S/C15H23N/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9-10,13H,6,8H2,1-5H3/b14-9+,15-10+
InChIKeyMGCHMIBVAYUNEC-AOEKMSOUSA-N
XLogP4.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-3,7-dimethylocta-2,6-dienylidene]propanedinitrile
CID 21159982
2,6,10,11-tetramethyldodeca-2,6,8-triene
CID 123796118
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
(2E)-3,7-dimethyl(413C)octa-2,6-dienenitrile
CID 10796920
2-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]propanedinitrile
CID 11053838
ethyl (2Z,4Z)-2-cyano-5,9-dimethyldeca-2,4,8-trienoate
CID 5357516
3,7-dimethylocta-2,6-dienal
CID 8843
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
CID 50905460
(2E)-2-(1-aminoethyl)-5-methylhexa-2,4-dienenitrile
CID 129033463
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile?
The IUPAC name of (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile (CID 11830898) is (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile.
What is the SMILES notation for (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile?
The canonical SMILES for (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile is CC(C)=CCC/C(C)=C/C=C(\C#N)C(C)C.
What is the InChIKey of (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile?
The InChIKey is MGCHMIBVAYUNEC-AOEKMSOUSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9-10,13H,6,8H2,1-5H3/b14-9+,15-10+.
What are the key properties of (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile?
(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile has a molecular weight of 217.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile is sourced from PubChem (CID 11830898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).