(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile

C15H23NO — CID 10944361

IUPAC(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile
SMILESC=C(C)C(O)CC/C(C)=C/C=C(\C#N)C(C)C
InChIInChI=1S/C15H23NO/c1-11(2)14(10-16)8-6-13(5)7-9-15(17)12(3)4/h6,8,11,15,17H,3,7,9H2,1-2,4-5H3/b13-6+,14-8+
InChIKeyOMPMXURVOLKFDL-HKAZRAOBSA-N
MW233.35 g/mol
LogP3.76
Rot. Bonds6

About (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile

(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile (PubChem CID 10944361) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile.

Molecular Properties

Compound Name(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile
PubChem CID10944361
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile
SMILESC=C(C)C(O)CC/C(C)=C/C=C(\C#N)C(C)C
InChIInChI=1S/C15H23NO/c1-11(2)14(10-16)8-6-13(5)7-9-15(17)12(3)4/h6,8,11,15,17H,3,7,9H2,1-2,4-5H3/b13-6+,14-8+
InChIKeyOMPMXURVOLKFDL-HKAZRAOBSA-N
XLogP3.76
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.76
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(2Rs,3rs)-2-hydroxy-3,7-dimethyl-6-octenenitrile
CID 21580119
(z)-2-(6-Hydroxy-3,7-dimethylocta-2,7-dien-1-ylidene)malononitrile
CID 129738489
(e)-2-(6-Hydroxy-3,7-dimethylocta-2,7-dien-1-ylidene)malononitrile
CID 129738556
(2Z,4E,8E,12E)-14-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraenenitrile
CID 134840471
(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,7E)-15-hydroxy-4,8,12,16-tetramethylheptadeca-3,7,11,16-tetraenenitrile
CID 135009281
(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

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile?
The IUPAC name of (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile (CID 10944361) is (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile.
What is the SMILES notation for (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile?
The canonical SMILES for (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile is C=C(C)C(O)CC/C(C)=C/C=C(\C#N)C(C)C.
What is the InChIKey of (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile?
The InChIKey is OMPMXURVOLKFDL-HKAZRAOBSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)14(10-16)8-6-13(5)7-9-15(17)12(3)4/h6,8,11,15,17H,3,7,9H2,1-2,4-5H3/b13-6+,14-8+.
What are the key properties of (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile?
(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile has a molecular weight of 233.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile is sourced from PubChem (CID 10944361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).