(E)-hex-4-en-2-yn-1-ol

C6H8O — CID 10996965

IUPAC(E)-hex-4-en-2-yn-1-ol
SMILESC/C=C/C#CCO
InChIInChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-3,7H,6H2,1H3/b3-2+
InChIKeyDXKRJONIAOSLSZ-NSCUHMNNSA-N
MW96.13 g/mol
LogP0.56
Rot. Bonds

About (E)-hex-4-en-2-yn-1-ol

(E)-hex-4-en-2-yn-1-ol (PubChem CID 10996965) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is (E)-hex-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(E)-hex-4-en-2-yn-1-ol
PubChem CID10996965
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name(E)-hex-4-en-2-yn-1-ol
SMILESC/C=C/C#CCO
InChIInChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-3,7H,6H2,1H3/b3-2+
InChIKeyDXKRJONIAOSLSZ-NSCUHMNNSA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-hex-4-en-2-yn-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 (E)-hex-4-en-2-yn-1-ol?
The IUPAC name of (E)-hex-4-en-2-yn-1-ol (CID 10996965) is (E)-hex-4-en-2-yn-1-ol.
What is the SMILES notation for (E)-hex-4-en-2-yn-1-ol?
The canonical SMILES for (E)-hex-4-en-2-yn-1-ol is C/C=C/C#CCO.
What is the InChIKey of (E)-hex-4-en-2-yn-1-ol?
The InChIKey is DXKRJONIAOSLSZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-3,7H,6H2,1H3/b3-2+.
What are the key properties of (E)-hex-4-en-2-yn-1-ol?
(E)-hex-4-en-2-yn-1-ol has a molecular weight of 96.13 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-4-en-2-yn-1-ol is sourced from PubChem (CID 10996965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).