1-ethenylsulfonylhex-5-en-2-ol

C8H14O3S — CID 22095653

IUPAC1-ethenylsulfonylhex-5-en-2-ol
SMILESC=CCCC(O)CS(=O)(=O)C=C
InChIInChI=1S/C8H14O3S/c1-3-5-6-8(9)7-12(10,11)4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyGFPCQURBYUYBOA-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.87
Rot. Bonds6

About 1-ethenylsulfonylhex-5-en-2-ol

1-ethenylsulfonylhex-5-en-2-ol (PubChem CID 22095653) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-ethenylsulfonylhex-5-en-2-ol.

Molecular Properties

Compound Name1-ethenylsulfonylhex-5-en-2-ol
PubChem CID22095653
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name1-ethenylsulfonylhex-5-en-2-ol
SMILESC=CCCC(O)CS(=O)(=O)C=C
InChIInChI=1S/C8H14O3S/c1-3-5-6-8(9)7-12(10,11)4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyGFPCQURBYUYBOA-UHFFFAOYSA-N
XLogP0.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethenylsulfonylhex-5-en-2-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-ethenylsulfonylhex-5-en-2-ol?
The IUPAC name of 1-ethenylsulfonylhex-5-en-2-ol (CID 22095653) is 1-ethenylsulfonylhex-5-en-2-ol.
What is the SMILES notation for 1-ethenylsulfonylhex-5-en-2-ol?
The canonical SMILES for 1-ethenylsulfonylhex-5-en-2-ol is C=CCCC(O)CS(=O)(=O)C=C.
What is the InChIKey of 1-ethenylsulfonylhex-5-en-2-ol?
The InChIKey is GFPCQURBYUYBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-3-5-6-8(9)7-12(10,11)4-2/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 1-ethenylsulfonylhex-5-en-2-ol?
1-ethenylsulfonylhex-5-en-2-ol has a molecular weight of 190.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylhex-5-en-2-ol is sourced from PubChem (CID 22095653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).