(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile

C20H29N — CID 14631544

IUPAC(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C#N
InChIInChI=1S/C20H29N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h8-9,11,13-15H,6-7,10,12H2,1-5H3/b14-8+,18-11+,19-13+,20-15+
InChIKeyLXHJOEMCSGWAHT-FKFCXIACSA-N
MW283.46 g/mol
LogP6.43
Rot. Bonds8

About (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile

(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile (PubChem CID 14631544) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile.

Molecular Properties

Compound Name(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile
PubChem CID14631544
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C#N
InChIInChI=1S/C20H29N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h8-9,11,13-15H,6-7,10,12H2,1-5H3/b14-8+,18-11+,19-13+,20-15+
InChIKeyLXHJOEMCSGWAHT-FKFCXIACSA-N
XLogP6.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.43
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'}

Analyze (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile
CID 175971518
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
(3E,5E,7E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,11,15-hexaene
CID 58792498
2,6,10,14,19,23,27,30-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
CID 163002608
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
methyl (2E,4E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,4,6,10,14,18-hexaenoate
CID 22168238
(2E)-3,7-dimethyl(413C)octa-2,6-dienenitrile
CID 10796920
(10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 162342692
(2E,4E,6E,10E)-7,11,15-trimethyl-3-(111C)methylhexadeca-2,4,6,10,14-pentaenoic acid
CID 170653107

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile?
The IUPAC name of (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile (CID 14631544) is (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile.
What is the SMILES notation for (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile?
The canonical SMILES for (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile is CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C#N.
What is the InChIKey of (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile?
The InChIKey is LXHJOEMCSGWAHT-FKFCXIACSA-N. The full InChI is InChI=1S/C20H29N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h8-9,11,13-15H,6-7,10,12H2,1-5H3/b14-8+,18-11+,19-13+,20-15+.
What are the key properties of (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile?
(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile has a molecular weight of 283.46 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenenitrile is sourced from PubChem (CID 14631544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).