4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol

C11H22O7S — CID 19938734

IUPAC4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol
SMILESC=CS(=O)(=O)CCC(O)C(OC)OCCOCCO
InChIInChI=1S/C11H22O7S/c1-3-19(14,15)9-4-10(13)11(16-2)18-8-7-17-6-5-12/h3,10-13H,1,4-9H2,2H3
InChIKeyVEUCXSLFCFPBAS-UHFFFAOYSA-N
MW298.36 g/mol
LogP-0.71
Rot. Bonds12

About 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol

4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol (PubChem CID 19938734) has the molecular formula C11H22O7S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol
PubChem CID19938734
Molecular FormulaC11H22O7S
Molecular Weight298.36 g/mol
Exact Mass298.11
IUPAC Name4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol
SMILESC=CS(=O)(=O)CCC(O)C(OC)OCCOCCO
InChIInChI=1S/C11H22O7S/c1-3-19(14,15)9-4-10(13)11(16-2)18-8-7-17-6-5-12/h3,10-13H,1,4-9H2,2H3
InChIKeyVEUCXSLFCFPBAS-UHFFFAOYSA-N
XLogP-0.71
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-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 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
The IUPAC name of 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol (CID 19938734) is 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
The canonical SMILES for 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol is C=CS(=O)(=O)CCC(O)C(OC)OCCOCCO.
What is the InChIKey of 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
The InChIKey is VEUCXSLFCFPBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7S/c1-3-19(14,15)9-4-10(13)11(16-2)18-8-7-17-6-5-12/h3,10-13H,1,4-9H2,2H3.
What are the key properties of 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol has a molecular weight of 298.36 g/mol, XLogP of -0.71, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol is sourced from PubChem (CID 19938734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).