8-hydroxyoct-5-ynenitrile

C8H11NO — CID 15119280

IUPAC8-hydroxyoct-5-ynenitrile
SMILESN#CCCCC#CCCO
InChIInChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h10H,1,3,5-6,8H2
InChIKeyDYUJXKAMQXMQJB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.07
Rot. Bonds3

About 8-hydroxyoct-5-ynenitrile

8-hydroxyoct-5-ynenitrile (PubChem CID 15119280) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 8-hydroxyoct-5-ynenitrile.

Molecular Properties

Compound Name8-hydroxyoct-5-ynenitrile
PubChem CID15119280
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name8-hydroxyoct-5-ynenitrile
SMILESN#CCCCC#CCCO
InChIInChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h10H,1,3,5-6,8H2
InChIKeyDYUJXKAMQXMQJB-UHFFFAOYSA-N
XLogP1.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoct-5-ynenitrile?
The IUPAC name of 8-hydroxyoct-5-ynenitrile (CID 15119280) is 8-hydroxyoct-5-ynenitrile.
What is the SMILES notation for 8-hydroxyoct-5-ynenitrile?
The canonical SMILES for 8-hydroxyoct-5-ynenitrile is N#CCCCC#CCCO.
What is the InChIKey of 8-hydroxyoct-5-ynenitrile?
The InChIKey is DYUJXKAMQXMQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-5-3-1-2-4-6-8-10/h10H,1,3,5-6,8H2.
What are the key properties of 8-hydroxyoct-5-ynenitrile?
8-hydroxyoct-5-ynenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyoct-5-ynenitrile is sourced from PubChem (CID 15119280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).