(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile

C12H19NO — CID 135038235

IUPAC(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile
SMILESC=C(C)C(O)CC/C(C)=C/CCC#N
InChIInChI=1S/C12H19NO/c1-10(2)12(14)8-7-11(3)6-4-5-9-13/h6,12,14H,1,4-5,7-8H2,2-3H3/b11-6+
InChIKeyBCPVDYDFJPETTL-IZZDOVSWSA-N
MW193.29 g/mol
LogP2.95
Rot. Bonds6

About (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile

(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile (PubChem CID 135038235) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile.

Molecular Properties

Compound Name(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile
PubChem CID135038235
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile
SMILESC=C(C)C(O)CC/C(C)=C/CCC#N
InChIInChI=1S/C12H19NO/c1-10(2)12(14)8-7-11(3)6-4-5-9-13/h6,12,14H,1,4-5,7-8H2,2-3H3/b11-6+
InChIKeyBCPVDYDFJPETTL-IZZDOVSWSA-N
XLogP2.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile?
The IUPAC name of (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile (CID 135038235) is (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile.
What is the SMILES notation for (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile?
The canonical SMILES for (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile is C=C(C)C(O)CC/C(C)=C/CCC#N.
What is the InChIKey of (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile?
The InChIKey is BCPVDYDFJPETTL-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)12(14)8-7-11(3)6-4-5-9-13/h6,12,14H,1,4-5,7-8H2,2-3H3/b11-6+.
What are the key properties of (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile?
(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile has a molecular weight of 193.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile is sourced from PubChem (CID 135038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).