1-methylsulfonylpent-4-en-1-ol

C6H12O3S — CID 57253794

IUPAC1-methylsulfonylpent-4-en-1-ol
SMILESC=CCCC(O)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-3-4-5-6(7)10(2,8)9/h3,6-7H,1,4-5H2,2H3
InChIKeyPHWAMSNZIGDASZ-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.32
Rot. Bonds4

About 1-methylsulfonylpent-4-en-1-ol

1-methylsulfonylpent-4-en-1-ol (PubChem CID 57253794) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methylsulfonylpent-4-en-1-ol.

Molecular Properties

Compound Name1-methylsulfonylpent-4-en-1-ol
PubChem CID57253794
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-methylsulfonylpent-4-en-1-ol
SMILESC=CCCC(O)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-3-4-5-6(7)10(2,8)9/h3,6-7H,1,4-5H2,2H3
InChIKeyPHWAMSNZIGDASZ-UHFFFAOYSA-N
XLogP0.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methylsulfonylpent-4-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 1-methylsulfonylpent-4-en-1-ol?
The IUPAC name of 1-methylsulfonylpent-4-en-1-ol (CID 57253794) is 1-methylsulfonylpent-4-en-1-ol.
What is the SMILES notation for 1-methylsulfonylpent-4-en-1-ol?
The canonical SMILES for 1-methylsulfonylpent-4-en-1-ol is C=CCCC(O)S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonylpent-4-en-1-ol?
The InChIKey is PHWAMSNZIGDASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-4-5-6(7)10(2,8)9/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 1-methylsulfonylpent-4-en-1-ol?
1-methylsulfonylpent-4-en-1-ol has a molecular weight of 164.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpent-4-en-1-ol is sourced from PubChem (CID 57253794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).