1-propylsulfonylprop-1-en-2-ol

C6H12O3S — CID 170920726

IUPAC1-propylsulfonylprop-1-en-2-ol
SMILESCCCS(=O)(=O)C=C(C)O
InChIInChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h5,7H,3-4H2,1-2H3
InChIKeyLZOASCGGEVPTHJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.23
Rot. Bonds3

About 1-propylsulfonylprop-1-en-2-ol

1-propylsulfonylprop-1-en-2-ol (PubChem CID 170920726) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-propylsulfonylprop-1-en-2-ol.

Molecular Properties

Compound Name1-propylsulfonylprop-1-en-2-ol
PubChem CID170920726
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-propylsulfonylprop-1-en-2-ol
SMILESCCCS(=O)(=O)C=C(C)O
InChIInChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h5,7H,3-4H2,1-2H3
InChIKeyLZOASCGGEVPTHJ-UHFFFAOYSA-N
XLogP1.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylprop-1-en-2-ol?
The IUPAC name of 1-propylsulfonylprop-1-en-2-ol (CID 170920726) is 1-propylsulfonylprop-1-en-2-ol.
What is the SMILES notation for 1-propylsulfonylprop-1-en-2-ol?
The canonical SMILES for 1-propylsulfonylprop-1-en-2-ol is CCCS(=O)(=O)C=C(C)O.
What is the InChIKey of 1-propylsulfonylprop-1-en-2-ol?
The InChIKey is LZOASCGGEVPTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-propylsulfonylprop-1-en-2-ol?
1-propylsulfonylprop-1-en-2-ol has a molecular weight of 164.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylprop-1-en-2-ol is sourced from PubChem (CID 170920726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).