(3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile

C21H33NO — CID 135009281

IUPAC(3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile
SMILESC=C(C)C(O)CCC(C)=CCC/C(C)=C/CC/C(C)=C/CC#N
InChIInChI=1S/C21H33NO/c1-17(2)21(23)15-14-20(5)12-7-10-18(3)9-6-11-19(4)13-8-16-22/h9,12-13,21,23H,1,6-8,10-11,14-15H2,2-5H3/b18-9+,19-13+,20-12?
InChIKeyLLQWCDGYKCXMMY-HZAJNSBNSA-N
MW315.50 g/mol
LogP6.02
Rot. Bonds11

About (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile

(3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile (PubChem CID 135009281) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile.

Molecular Properties

Compound Name(3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile
PubChem CID135009281
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name(3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile
SMILESC=C(C)C(O)CCC(C)=CCC/C(C)=C/CC/C(C)=C/CC#N
InChIInChI=1S/C21H33NO/c1-17(2)21(23)15-14-20(5)12-7-10-18(3)9-6-11-19(4)13-8-16-22/h9,12-13,21,23H,1,6-8,10-11,14-15H2,2-5H3/b18-9+,19-13+,20-12?
InChIKeyLLQWCDGYKCXMMY-HZAJNSBNSA-N
XLogP6.02
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile 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

(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol
CID 5366014
(3S,6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
CID 23426760
(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile
CID 10944361
2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol
CID 550102
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(z)-2-(6-Hydroxy-3,7-dimethylocta-2,7-dien-1-ylidene)malononitrile
CID 129738489
(e)-2-(6-Hydroxy-3,7-dimethylocta-2,7-dien-1-ylidene)malononitrile
CID 129738556
(Z)-3-ethyl-4-hydroxyhept-2-enenitrile
CID 134890167
(4E)-12-hydroxy-5,9,13-trimethyltetradeca-4,8,13-trienenitrile
CID 135009237
(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile
CID 135009280
(3E)-11-hydroxy-4,8,12-trimethyltrideca-3,7,12-trienenitrile
CID 135009843
(5E)-9-hydroxy-6,10-dimethylundeca-5,10-dienenitrile
CID 135009902

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile?
The IUPAC name of (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile (CID 135009281) is (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile.
What is the SMILES notation for (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile?
The canonical SMILES for (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile is C=C(C)C(O)CCC(C)=CCC/C(C)=C/CC/C(C)=C/CC#N.
What is the InChIKey of (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile?
The InChIKey is LLQWCDGYKCXMMY-HZAJNSBNSA-N. The full InChI is InChI=1S/C21H33NO/c1-17(2)21(23)15-14-20(5)12-7-10-18(3)9-6-11-19(4)13-8-16-22/h9,12-13,21,23H,1,6-8,10-11,14-15H2,2-5H3/b18-9+,19-13+,20-12?.
What are the key properties of (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile?
(3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile has a molecular weight of 315.50 g/mol, XLogP of 6.02, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile is sourced from PubChem (CID 135009281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).