(2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile

C12H15NO — CID 100977774

IUPAC(2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile
SMILESCC(/C=C/C#N)=C\C=C\C=C(/C)CO
InChIInChI=1S/C12H15NO/c1-11(8-5-9-13)6-3-4-7-12(2)10-14/h3-8,14H,10H2,1-2H3/b4-3+,8-5+,11-6+,12-7+
InChIKeyGAMKQODAVNABQA-SZZOTQSASA-N
MW189.26 g/mol
LogP2.51
Rot. Bonds4

About (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile

(2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile (PubChem CID 100977774) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile.

Molecular Properties

Compound Name(2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile
PubChem CID100977774
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile
SMILESCC(/C=C/C#N)=C\C=C\C=C(/C)CO
InChIInChI=1S/C12H15NO/c1-11(8-5-9-13)6-3-4-7-12(2)10-14/h3-8,14H,10H2,1-2H3/b4-3+,8-5+,11-6+,12-7+
InChIKeyGAMKQODAVNABQA-SZZOTQSASA-N
XLogP2.51
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile?
The IUPAC name of (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile (CID 100977774) is (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile.
What is the SMILES notation for (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile?
The canonical SMILES for (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile is CC(/C=C/C#N)=C\C=C\C=C(/C)CO.
What is the InChIKey of (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile?
The InChIKey is GAMKQODAVNABQA-SZZOTQSASA-N. The full InChI is InChI=1S/C12H15NO/c1-11(8-5-9-13)6-3-4-7-12(2)10-14/h3-8,14H,10H2,1-2H3/b4-3+,8-5+,11-6+,12-7+.
What are the key properties of (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile?
(2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-10-hydroxy-4,9-dimethyldeca-2,4,6,8-tetraenenitrile is sourced from PubChem (CID 100977774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).