(E)-8-hydroxy-6-methylideneoct-4-enenitrile

C9H13NO — CID 11344107

IUPAC(E)-8-hydroxy-6-methylideneoct-4-enenitrile
SMILESC=C(/C=C/CCC#N)CCO
InChIInChI=1S/C9H13NO/c1-9(6-8-11)5-3-2-4-7-10/h3,5,11H,1-2,4,6,8H2/b5-3+
InChIKeyWVWHTIUSSWIYQC-HWKANZROSA-N
MW151.21 g/mol
LogP1.78
Rot. Bonds5

About (E)-8-hydroxy-6-methylideneoct-4-enenitrile

(E)-8-hydroxy-6-methylideneoct-4-enenitrile (PubChem CID 11344107) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-8-hydroxy-6-methylideneoct-4-enenitrile.

Molecular Properties

Compound Name(E)-8-hydroxy-6-methylideneoct-4-enenitrile
PubChem CID11344107
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-8-hydroxy-6-methylideneoct-4-enenitrile
SMILESC=C(/C=C/CCC#N)CCO
InChIInChI=1S/C9H13NO/c1-9(6-8-11)5-3-2-4-7-10/h3,5,11H,1-2,4,6,8H2/b5-3+
InChIKeyWVWHTIUSSWIYQC-HWKANZROSA-N
XLogP1.78
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of (E)-8-hydroxy-6-methylideneoct-4-enenitrile?
The IUPAC name of (E)-8-hydroxy-6-methylideneoct-4-enenitrile (CID 11344107) is (E)-8-hydroxy-6-methylideneoct-4-enenitrile.
What is the SMILES notation for (E)-8-hydroxy-6-methylideneoct-4-enenitrile?
The canonical SMILES for (E)-8-hydroxy-6-methylideneoct-4-enenitrile is C=C(/C=C/CCC#N)CCO.
What is the InChIKey of (E)-8-hydroxy-6-methylideneoct-4-enenitrile?
The InChIKey is WVWHTIUSSWIYQC-HWKANZROSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(6-8-11)5-3-2-4-7-10/h3,5,11H,1-2,4,6,8H2/b5-3+.
What are the key properties of (E)-8-hydroxy-6-methylideneoct-4-enenitrile?
(E)-8-hydroxy-6-methylideneoct-4-enenitrile has a molecular weight of 151.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-hydroxy-6-methylideneoct-4-enenitrile is sourced from PubChem (CID 11344107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).