(Z)-2-ethylbut-2-en-1-ol

C6H12O — CID 6121908

IUPAC(Z)-2-ethylbut-2-en-1-ol
SMILESC/C=C(/CC)CO
InChIInChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyACIAHEMYLLBZOI-UTCJRWHESA-N
MW100.16 g/mol
LogP1.34
Rot. Bonds2

About (Z)-2-ethylbut-2-en-1-ol

(Z)-2-ethylbut-2-en-1-ol (PubChem CID 6121908) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (Z)-2-ethylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-ethylbut-2-en-1-ol
PubChem CID6121908
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(Z)-2-ethylbut-2-en-1-ol
SMILESC/C=C(/CC)CO
InChIInChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyACIAHEMYLLBZOI-UTCJRWHESA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-ethylbut-2-en-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 (Z)-2-ethylbut-2-en-1-ol?
The IUPAC name of (Z)-2-ethylbut-2-en-1-ol (CID 6121908) is (Z)-2-ethylbut-2-en-1-ol.
What is the SMILES notation for (Z)-2-ethylbut-2-en-1-ol?
The canonical SMILES for (Z)-2-ethylbut-2-en-1-ol is C/C=C(/CC)CO.
What is the InChIKey of (Z)-2-ethylbut-2-en-1-ol?
The InChIKey is ACIAHEMYLLBZOI-UTCJRWHESA-N. The full InChI is InChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,7H,4-5H2,1-2H3/b6-3-.
What are the key properties of (Z)-2-ethylbut-2-en-1-ol?
(Z)-2-ethylbut-2-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylbut-2-en-1-ol is sourced from PubChem (CID 6121908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).