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

C14H23NO — CID 135046799

IUPAC(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CCC(C)(O)C#N
InChIInChI=1S/C14H23NO/c1-12(2)7-5-8-13(3)9-6-10-14(4,16)11-15/h7,9,16H,5-6,8,10H2,1-4H3/b13-9+
InChIKeyCHAZQAKKYMHKKF-UKTHLTGXSA-N
MW221.34 g/mol
LogP3.73
Rot. Bonds6

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

(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile (PubChem CID 135046799) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile.

Molecular Properties

Compound Name(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile
PubChem CID135046799
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CCC(C)(O)C#N
InChIInChI=1S/C14H23NO/c1-12(2)7-5-8-13(3)9-6-10-14(4,16)11-15/h7,9,16H,5-6,8,10H2,1-4H3/b13-9+
InChIKeyCHAZQAKKYMHKKF-UKTHLTGXSA-N
XLogP3.73
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.73
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'}

Analyze (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile with MolForge

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

Launch Full Analysis

Related Compounds

(2E,4R)-4-hydroxy-4,8-dimethylnona-2,7-dienenitrile
CID 16088100
(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dienenitrile
CID 135046800
7-Nonenenitrile, 4-hydroxy-4,8-dimethyl-
CID 10214431
7-Nonenenitrile, 4-hydroxy-4,8-dimethyl-, (4S)-
CID 11672773
3-Hydroxy-3,7-dimethyloct-6-enenitrile
CID 20538474
(4R)-4-Hydroxy-4,8-dimethylnon-7-enenitrile
CID 71443357
(E)-7-hydroxy-3,7-dimethyloct-3-enenitrile
CID 88755844
(E)-7-methoxy-3,7-dimethyloct-3-enenitrile
CID 88755967
(E)-7-hydroxy-2,7-dimethylnon-2-enenitrile
CID 88773351
(E,2E)-2-butylidene-5-hydroxyhept-5-enenitrile
CID 88935529
7-Methoxy-3,7-dimethyloct-3-enenitrile
CID 141541969
7-Hydroxy-3,7-dimethyloct-3-enenitrile
CID 141543615

Frequently Asked Questions

What is the IUPAC name of (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile?
The IUPAC name of (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile (CID 135046799) is (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile.
What is the SMILES notation for (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile?
The canonical SMILES for (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile is CC(C)=CCC/C(C)=C/CCC(C)(O)C#N.
What is the InChIKey of (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile?
The InChIKey is CHAZQAKKYMHKKF-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)7-5-8-13(3)9-6-10-14(4,16)11-15/h7,9,16H,5-6,8,10H2,1-4H3/b13-9+.
What are the key properties of (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile?
(5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile has a molecular weight of 221.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-hydroxy-2,6,10-trimethylundeca-5,9-dienenitrile is sourced from PubChem (CID 135046799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).