non-4-yn-3-ol

C9H16O — CID 11040785

IUPACnon-4-yn-3-ol
SMILESCCCCC#CC(O)CC
InChIInChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-6H2,1-2H3
InChIKeyAKAXZYAXOMPQRG-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds3

About non-4-yn-3-ol

non-4-yn-3-ol (PubChem CID 11040785) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-4-yn-3-ol.

Molecular Properties

Compound Namenon-4-yn-3-ol
PubChem CID11040785
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-4-yn-3-ol
SMILESCCCCC#CC(O)CC
InChIInChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-6H2,1-2H3
InChIKeyAKAXZYAXOMPQRG-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze non-4-yn-3-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 non-4-yn-3-ol?
The IUPAC name of non-4-yn-3-ol (CID 11040785) is non-4-yn-3-ol.
What is the SMILES notation for non-4-yn-3-ol?
The canonical SMILES for non-4-yn-3-ol is CCCCC#CC(O)CC.
What is the InChIKey of non-4-yn-3-ol?
The InChIKey is AKAXZYAXOMPQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-6H2,1-2H3.
What are the key properties of non-4-yn-3-ol?
non-4-yn-3-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-4-yn-3-ol is sourced from PubChem (CID 11040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).