(Z)-8-hydroxyoct-6-enenitrile

C8H13NO — CID 14437929

IUPAC(Z)-8-hydroxyoct-6-enenitrile
SMILESN#CCCCC/C=C\CO
InChIInChI=1S/C8H13NO/c9-7-5-3-1-2-4-6-8-10/h4,6,10H,1-3,5,8H2/b6-4-
InChIKeyFSCWHURKXBUHRW-XQRVVYSFSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds5

About (Z)-8-hydroxyoct-6-enenitrile

(Z)-8-hydroxyoct-6-enenitrile (PubChem CID 14437929) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-8-hydroxyoct-6-enenitrile.

Molecular Properties

Compound Name(Z)-8-hydroxyoct-6-enenitrile
PubChem CID14437929
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-8-hydroxyoct-6-enenitrile
SMILESN#CCCCC/C=C\CO
InChIInChI=1S/C8H13NO/c9-7-5-3-1-2-4-6-8-10/h4,6,10H,1-3,5,8H2/b6-4-
InChIKeyFSCWHURKXBUHRW-XQRVVYSFSA-N
XLogP1.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-fluoro-9-hydroxynon-7-enenitrile
CID 138375678
(E)-5-hydroxypent-3-enenitrile
CID 15256586
(E,2S)-2-hydroxynon-3-enenitrile
CID 10855671
5-Hydroxypent-3-enenitrile
CID 10909494
(E)-2-hydroxynon-3-enenitrile
CID 101501693
(4Z,6E)-8-hydroxyocta-4,6-dienenitrile
CID 134863896
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
(Z)-11-hydroxyundec-9-enenitrile
CID 134381641
(E)-11-hydroxyundec-9-enenitrile
CID 139463269

Frequently Asked Questions

What is the IUPAC name of (Z)-8-hydroxyoct-6-enenitrile?
The IUPAC name of (Z)-8-hydroxyoct-6-enenitrile (CID 14437929) is (Z)-8-hydroxyoct-6-enenitrile.
What is the SMILES notation for (Z)-8-hydroxyoct-6-enenitrile?
The canonical SMILES for (Z)-8-hydroxyoct-6-enenitrile is N#CCCCC/C=C\CO.
What is the InChIKey of (Z)-8-hydroxyoct-6-enenitrile?
The InChIKey is FSCWHURKXBUHRW-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13NO/c9-7-5-3-1-2-4-6-8-10/h4,6,10H,1-3,5,8H2/b6-4-.
What are the key properties of (Z)-8-hydroxyoct-6-enenitrile?
(Z)-8-hydroxyoct-6-enenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-hydroxyoct-6-enenitrile is sourced from PubChem (CID 14437929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).