4-hydroxyoct-2-enenitrile

C8H13NO — CID 71329578

IUPAC4-hydroxyoct-2-enenitrile
SMILESCCCCC(O)C=CC#N
InChIInChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h4,6,8,10H,2-3,5H2,1H3
InChIKeyWSRYLWOAPRCPFD-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds4

About 4-hydroxyoct-2-enenitrile

4-hydroxyoct-2-enenitrile (PubChem CID 71329578) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-hydroxyoct-2-enenitrile.

Molecular Properties

Compound Name4-hydroxyoct-2-enenitrile
PubChem CID71329578
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-hydroxyoct-2-enenitrile
SMILESCCCCC(O)C=CC#N
InChIInChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h4,6,8,10H,2-3,5H2,1H3
InChIKeyWSRYLWOAPRCPFD-UHFFFAOYSA-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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Related Compounds

4-hydroxydec-2-enenitrile
CID 73187760
(Z)-dec-3-en-1-yn-5-ol
CID 146163105
(E)-non-3-en-5-ol
CID 18957163
2,2-dimethylnon-3-en-5-ol
CID 123324148
methyl (E)-4-hydroxyoct-2-enoate
CID 12872059
dodec-5-en-7-yn-4-ol
CID 71331023
(E)-1-chlorooct-1-en-3-ol
CID 14723484
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(Z)-undec-2-en-4-ol
CID 14320443
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(E)-non-2-ene-1,4-diol
CID 14106146

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyoct-2-enenitrile?
The IUPAC name of 4-hydroxyoct-2-enenitrile (CID 71329578) is 4-hydroxyoct-2-enenitrile.
What is the SMILES notation for 4-hydroxyoct-2-enenitrile?
The canonical SMILES for 4-hydroxyoct-2-enenitrile is CCCCC(O)C=CC#N.
What is the InChIKey of 4-hydroxyoct-2-enenitrile?
The InChIKey is WSRYLWOAPRCPFD-UHFFFAOYSA-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.
What are the key properties of 4-hydroxyoct-2-enenitrile?
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 4-hydroxyoct-2-enenitrile is sourced from PubChem (CID 71329578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).