1-prop-2-enylsulfonylprop-2-en-1-ol

C6H10O3S — CID 123315602

IUPAC1-prop-2-enylsulfonylprop-2-en-1-ol
SMILESC=CCS(=O)(=O)C(O)C=C
InChIInChI=1S/C6H10O3S/c1-3-5-10(8,9)6(7)4-2/h3-4,6-7H,1-2,5H2
InChIKeyGKIGHOFPCVIGJM-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.09
Rot. Bonds4

About 1-prop-2-enylsulfonylprop-2-en-1-ol

1-prop-2-enylsulfonylprop-2-en-1-ol (PubChem CID 123315602) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylprop-2-en-1-ol.

Molecular Properties

Compound Name1-prop-2-enylsulfonylprop-2-en-1-ol
PubChem CID123315602
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name1-prop-2-enylsulfonylprop-2-en-1-ol
SMILESC=CCS(=O)(=O)C(O)C=C
InChIInChI=1S/C6H10O3S/c1-3-5-10(8,9)6(7)4-2/h3-4,6-7H,1-2,5H2
InChIKeyGKIGHOFPCVIGJM-UHFFFAOYSA-N
XLogP0.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfonylprop-2-en-1-ol?
The IUPAC name of 1-prop-2-enylsulfonylprop-2-en-1-ol (CID 123315602) is 1-prop-2-enylsulfonylprop-2-en-1-ol.
What is the SMILES notation for 1-prop-2-enylsulfonylprop-2-en-1-ol?
The canonical SMILES for 1-prop-2-enylsulfonylprop-2-en-1-ol is C=CCS(=O)(=O)C(O)C=C.
What is the InChIKey of 1-prop-2-enylsulfonylprop-2-en-1-ol?
The InChIKey is GKIGHOFPCVIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-5-10(8,9)6(7)4-2/h3-4,6-7H,1-2,5H2.
What are the key properties of 1-prop-2-enylsulfonylprop-2-en-1-ol?
1-prop-2-enylsulfonylprop-2-en-1-ol has a molecular weight of 162.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylprop-2-en-1-ol is sourced from PubChem (CID 123315602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).