(4Z,6E)-8-hydroxyocta-4,6-dienenitrile

C8H11NO — CID 134863896

IUPAC(4Z,6E)-8-hydroxyocta-4,6-dienenitrile
SMILESN#CCC/C=C\C=C\CO
InChIInChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h1-2,4,6,10H,3,5,8H2/b2-1-,6-4+
InChIKeyIUAXMLSPMQCMSZ-GEZXTYQDSA-N
MW137.18 g/mol
LogP1.39
Rot. Bonds4

About (4Z,6E)-8-hydroxyocta-4,6-dienenitrile

(4Z,6E)-8-hydroxyocta-4,6-dienenitrile (PubChem CID 134863896) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4Z,6E)-8-hydroxyocta-4,6-dienenitrile.

Molecular Properties

Compound Name(4Z,6E)-8-hydroxyocta-4,6-dienenitrile
PubChem CID134863896
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4Z,6E)-8-hydroxyocta-4,6-dienenitrile
SMILESN#CCC/C=C\C=C\CO
InChIInChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h1-2,4,6,10H,3,5,8H2/b2-1-,6-4+
InChIKeyIUAXMLSPMQCMSZ-GEZXTYQDSA-N
XLogP1.39
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-hydroxypent-3-enenitrile
CID 15256586
5-Hydroxypent-3-enenitrile
CID 10909494
(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
CID 11007888
5-Hydroxy-3-pentenenitrile
CID 54443523
(Z)-6-hydroxyhex-4-enenitrile
CID 57915014
6-Hydroxyhex-4-enenitrile
CID 76639850
(E)-6-hydroxyhex-4-enenitrile
CID 87812733
4-Buta-1,3-dienyl-8-hydroxyocta-2,4,6-trienenitrile
CID 88811466
(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 89839919
(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
CID 143349265
(2E,5Z)-7-(hydroxymethyl)-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dienenitrile
CID 143426131
(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile
CID 143895043

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-8-hydroxyocta-4,6-dienenitrile?
The IUPAC name of (4Z,6E)-8-hydroxyocta-4,6-dienenitrile (CID 134863896) is (4Z,6E)-8-hydroxyocta-4,6-dienenitrile.
What is the SMILES notation for (4Z,6E)-8-hydroxyocta-4,6-dienenitrile?
The canonical SMILES for (4Z,6E)-8-hydroxyocta-4,6-dienenitrile is N#CCC/C=C\C=C\CO.
What is the InChIKey of (4Z,6E)-8-hydroxyocta-4,6-dienenitrile?
The InChIKey is IUAXMLSPMQCMSZ-GEZXTYQDSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h1-2,4,6,10H,3,5,8H2/b2-1-,6-4+.
What are the key properties of (4Z,6E)-8-hydroxyocta-4,6-dienenitrile?
(4Z,6E)-8-hydroxyocta-4,6-dienenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-8-hydroxyocta-4,6-dienenitrile is sourced from PubChem (CID 134863896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).