(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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Related Compounds

(2E,4Z,8Z)-2-ethenyl-9-hydroxy-7-(hydroxymethyl)nona-2,4,8-trienenitrile
CID 88269033
5-(Hydroxymethyl)cyclohepta-1,3,6-triene-1-carbonitrile
CID 89757180
(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 89839919
4-Cyclohepta-1,3,6-trien-1-yl-2-hydroxybutanenitrile
CID 124082482
5-(Hydroxymethyl)-5-methylcyclohepta-1,3,6-triene-1-carbonitrile
CID 142264657
ethane;(E,3R)-3-hydroxy-5-methylideneoct-6-enenitrile
CID 142905900
(2E)-2-ethenyl-4-(hydroxymethyl)penta-2,4-dienenitrile
CID 143230716
(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
(2S)-4-cyclohepta-1,3,6-trien-1-yl-2-hydroxybutanenitrile
CID 143918727
(3E)-3-ethenyl-4-(hydroxymethyl)hexa-3,5-dienenitrile
CID 144093993
(3E,5Z)-2-hydroxy-3-prop-1-en-2-ylhepta-3,5-dienenitrile
CID 145312656

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).