(2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile

C10H15NO — CID 102424511

IUPAC(2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile
SMILESC/C=C(\C)[C@@](C)(O)C/C=C\C#N
InChIInChI=1S/C10H15NO/c1-4-9(2)10(3,12)7-5-6-8-11/h4-6,12H,7H2,1-3H3/b6-5-,9-4+/t10-/m0/s1
InChIKeyUSWWRIZYARODAD-QALSAPHGSA-N
MW165.24 g/mol
LogP2.17
Rot. Bonds3

About (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile

(2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile (PubChem CID 102424511) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile.

Molecular Properties

Compound Name(2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile
PubChem CID102424511
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile
SMILESC/C=C(\C)[C@@](C)(O)C/C=C\C#N
InChIInChI=1S/C10H15NO/c1-4-9(2)10(3,12)7-5-6-8-11/h4-6,12H,7H2,1-3H3/b6-5-,9-4+/t10-/m0/s1
InChIKeyUSWWRIZYARODAD-QALSAPHGSA-N
XLogP2.17
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-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

(E)-2-(2-hydroxybutan-2-yl)but-2-enedinitrile
CID 131862955
(2E,4R)-4-hydroxy-4,8-dimethylnona-2,7-dienenitrile
CID 16088100
(E)-5-hydroxy-5-methyloct-2-enenitrile
CID 135038339
(1-Hydroxyphenylethylidene)malononitrile
CID 86747658
4-Hydroxy-4-methylcyclohexa-1,5-diene-1-carbonitrile
CID 141980340
(E)-2-(2-hydroxypropan-2-yl)hept-2-enenitrile
CID 14266422
(E)-3-hydroxy-3,4-dimethylhex-4-enenitrile
CID 15174574
(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile
CID 15309515
(3R)-3-hydroxy-3,6-dimethylhept-5-enenitrile
CID 49783365
4-Hydroxy-3,4-dimethylpent-2-enenitrile
CID 71441732
(E)-4-hydroxy-3,4-dimethylpent-2-enenitrile
CID 91998744
(Z)-2-(2-hydroxybutan-2-yl)but-2-enedinitrile
CID 101397633

Frequently Asked Questions

What is the IUPAC name of (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile?
The IUPAC name of (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile (CID 102424511) is (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile.
What is the SMILES notation for (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile?
The canonical SMILES for (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile is C/C=C(\C)[C@@](C)(O)C/C=C\C#N.
What is the InChIKey of (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile?
The InChIKey is USWWRIZYARODAD-QALSAPHGSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-9(2)10(3,12)7-5-6-8-11/h4-6,12H,7H2,1-3H3/b6-5-,9-4+/t10-/m0/s1.
What are the key properties of (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile?
(2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S,6E)-5-hydroxy-5,6-dimethylocta-2,6-dienenitrile is sourced from PubChem (CID 102424511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).