oct-7-en-3,5-diyn-1-ol

C8H8O — CID 15503524

IUPACoct-7-en-3,5-diyn-1-ol
SMILESC=CC#CC#CCCO
InChIInChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2
InChIKeyAGWFAJXETXIOEE-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.56
Rot. Bonds1

About oct-7-en-3,5-diyn-1-ol

oct-7-en-3,5-diyn-1-ol (PubChem CID 15503524) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is oct-7-en-3,5-diyn-1-ol.

Molecular Properties

Compound Nameoct-7-en-3,5-diyn-1-ol
PubChem CID15503524
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Nameoct-7-en-3,5-diyn-1-ol
SMILESC=CC#CC#CCCO
InChIInChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2
InChIKeyAGWFAJXETXIOEE-UHFFFAOYSA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze oct-7-en-3,5-diyn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oct-7-en-3,5-diyn-1-ol?
The IUPAC name of oct-7-en-3,5-diyn-1-ol (CID 15503524) is oct-7-en-3,5-diyn-1-ol.
What is the SMILES notation for oct-7-en-3,5-diyn-1-ol?
The canonical SMILES for oct-7-en-3,5-diyn-1-ol is C=CC#CC#CCCO.
What is the InChIKey of oct-7-en-3,5-diyn-1-ol?
The InChIKey is AGWFAJXETXIOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2.
What are the key properties of oct-7-en-3,5-diyn-1-ol?
oct-7-en-3,5-diyn-1-ol has a molecular weight of 120.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-3,5-diyn-1-ol is sourced from PubChem (CID 15503524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).