(Z)-4-hydroxyoct-2-enenitrile

C8H13NO — CID 102015988

IUPAC(Z)-4-hydroxyoct-2-enenitrile
SMILESCCCCC(O)/C=C\C#N
InChIInChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h4,6,8,10H,2-3,5H2,1H3/b6-4-
InChIKeyWSRYLWOAPRCPFD-XQRVVYSFSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds4

About (Z)-4-hydroxyoct-2-enenitrile

(Z)-4-hydroxyoct-2-enenitrile (PubChem CID 102015988) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-4-hydroxyoct-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-hydroxyoct-2-enenitrile
PubChem CID102015988
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-4-hydroxyoct-2-enenitrile
SMILESCCCCC(O)/C=C\C#N
InChIInChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h4,6,8,10H,2-3,5H2,1H3/b6-4-
InChIKeyWSRYLWOAPRCPFD-XQRVVYSFSA-N
XLogP1.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxyoct-2-enenitrile?
The IUPAC name of (Z)-4-hydroxyoct-2-enenitrile (CID 102015988) is (Z)-4-hydroxyoct-2-enenitrile.
What is the SMILES notation for (Z)-4-hydroxyoct-2-enenitrile?
The canonical SMILES for (Z)-4-hydroxyoct-2-enenitrile is CCCCC(O)/C=C\C#N.
What is the InChIKey of (Z)-4-hydroxyoct-2-enenitrile?
The InChIKey is WSRYLWOAPRCPFD-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h4,6,8,10H,2-3,5H2,1H3/b6-4-.
What are the key properties of (Z)-4-hydroxyoct-2-enenitrile?
(Z)-4-hydroxyoct-2-enenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxyoct-2-enenitrile is sourced from PubChem (CID 102015988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).