(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile

C13H21NO — CID 135046800

IUPAC(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CCC(O)C#N
InChIInChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14/h6,8,13,15H,4-5,7,9H2,1-3H3/b12-8+
InChIKeyYLPRDCFYXQUAIB-XYOKQWHBSA-N
MW207.32 g/mol
LogP3.34
Rot. Bonds6

About (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile

(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile (PubChem CID 135046800) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile.

Molecular Properties

Compound Name(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile
PubChem CID135046800
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CCC(O)C#N
InChIInChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14/h6,8,13,15H,4-5,7,9H2,1-3H3/b12-8+
InChIKeyYLPRDCFYXQUAIB-XYOKQWHBSA-N
XLogP3.34
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-hydroxy-5,9-dimethyl-2-methylidenedeca-4,8-dienenitrile
CID 15520855
(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
(2Rs,3rs)-2-hydroxy-3,7-dimethyl-6-octenenitrile
CID 21580119
(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
(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile
CID 135038235
(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile
CID 135046799
2-(Hydroxymethyl)-5-methyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
CID 138976330
(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
CID 12848402
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 46201126

Frequently Asked Questions

What is the IUPAC name of (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile?
The IUPAC name of (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile (CID 135046800) is (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile.
What is the SMILES notation for (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile?
The canonical SMILES for (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile is CC(C)=CCC/C(C)=C/CCC(O)C#N.
What is the InChIKey of (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile?
The InChIKey is YLPRDCFYXQUAIB-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14/h6,8,13,15H,4-5,7,9H2,1-3H3/b12-8+.
What are the key properties of (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile?
(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile has a molecular weight of 207.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile is sourced from PubChem (CID 135046800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).