non-2-ene-1,4-diol

C9H18O2 — CID 54541195

IUPACnon-2-ene-1,4-diol
SMILESCCCCCC(O)C=CCO
InChIInChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,9-11H,2-4,6,8H2,1H3
InChIKeyZDHRSPRSUBAAIO-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.48
Rot. Bonds6

About non-2-ene-1,4-diol

non-2-ene-1,4-diol (PubChem CID 54541195) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is non-2-ene-1,4-diol.

Molecular Properties

Compound Namenon-2-ene-1,4-diol
PubChem CID54541195
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namenon-2-ene-1,4-diol
SMILESCCCCCC(O)C=CCO
InChIInChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,9-11H,2-4,6,8H2,1H3
InChIKeyZDHRSPRSUBAAIO-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze non-2-ene-1,4-diol 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-2-ene-1,4-diol?
The IUPAC name of non-2-ene-1,4-diol (CID 54541195) is non-2-ene-1,4-diol.
What is the SMILES notation for non-2-ene-1,4-diol?
The canonical SMILES for non-2-ene-1,4-diol is CCCCCC(O)C=CCO.
What is the InChIKey of non-2-ene-1,4-diol?
The InChIKey is ZDHRSPRSUBAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7,9-11H,2-4,6,8H2,1H3.
What are the key properties of non-2-ene-1,4-diol?
non-2-ene-1,4-diol has a molecular weight of 158.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-ene-1,4-diol is sourced from PubChem (CID 54541195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).