(E)-non-5-en-4-ol

C9H18O — CID 10057595

IUPAC(E)-non-5-en-4-ol
SMILESCCC/C=C/C(O)CCC
InChIInChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h6,8-10H,3-5,7H2,1-2H3/b8-6+
InChIKeyAGJGJUGBPXOLEG-SOFGYWHQSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds5

About (E)-non-5-en-4-ol

(E)-non-5-en-4-ol (PubChem CID 10057595) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-non-5-en-4-ol.

Molecular Properties

Compound Name(E)-non-5-en-4-ol
PubChem CID10057595
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-non-5-en-4-ol
SMILESCCC/C=C/C(O)CCC
InChIInChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h6,8-10H,3-5,7H2,1-2H3/b8-6+
InChIKeyAGJGJUGBPXOLEG-SOFGYWHQSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-non-5-en-4-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 (E)-non-5-en-4-ol?
The IUPAC name of (E)-non-5-en-4-ol (CID 10057595) is (E)-non-5-en-4-ol.
What is the SMILES notation for (E)-non-5-en-4-ol?
The canonical SMILES for (E)-non-5-en-4-ol is CCC/C=C/C(O)CCC.
What is the InChIKey of (E)-non-5-en-4-ol?
The InChIKey is AGJGJUGBPXOLEG-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h6,8-10H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (E)-non-5-en-4-ol?
(E)-non-5-en-4-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-5-en-4-ol is sourced from PubChem (CID 10057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).