prop-2-enoxy 2-hydroxybutane-1-sulfonate

C7H14O5S — CID 175563350

IUPACprop-2-enoxy 2-hydroxybutane-1-sulfonate
SMILESC=CCOOS(=O)(=O)CC(O)CC
InChIInChI=1S/C7H14O5S/c1-3-5-11-12-13(9,10)6-7(8)4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyFYNVLIPGDPBHOH-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.22
Rot. Bonds7

About prop-2-enoxy 2-hydroxybutane-1-sulfonate

prop-2-enoxy 2-hydroxybutane-1-sulfonate (PubChem CID 175563350) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is prop-2-enoxy 2-hydroxybutane-1-sulfonate.

Molecular Properties

Compound Nameprop-2-enoxy 2-hydroxybutane-1-sulfonate
PubChem CID175563350
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Nameprop-2-enoxy 2-hydroxybutane-1-sulfonate
SMILESC=CCOOS(=O)(=O)CC(O)CC
InChIInChI=1S/C7H14O5S/c1-3-5-11-12-13(9,10)6-7(8)4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyFYNVLIPGDPBHOH-UHFFFAOYSA-N
XLogP0.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
sodium prop-2-enoxy sulfate
CID 138633937
potassium 2-hydroxybutane-1-sulfonate
CID 59092896
2-hydroxy-1-prop-2-enoxybutane-1-sulfonic acid
CID 174367736
sodium 1-(2-hydroxy-3-prop-2-enoxypropyl)peroxybutane-2-sulfonate
CID 59969154
2-methylprop-2-enoic acid;prop-2-enyl 3-hydroxy-2-methylidenepentaneperoxoate
CID 174525189
1-prop-2-enylperoxyethanol
CID 10077060
2-hydroxy-3-prop-2-enoxypropane-1-sulfonate
CID 19842676
ethoxy prop-2-enyl sulfate
CID 87065036
sodium;butan-2-ol;1-ethenylsulfonylethene;5-(2-ethenylsulfonylethoxy)hexan-3-ol;hydroxide
CID 158696753
prop-2-enyl hydrogen sulfate;tetradecane
CID 87113909

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxy 2-hydroxybutane-1-sulfonate?
The IUPAC name of prop-2-enoxy 2-hydroxybutane-1-sulfonate (CID 175563350) is prop-2-enoxy 2-hydroxybutane-1-sulfonate.
What is the SMILES notation for prop-2-enoxy 2-hydroxybutane-1-sulfonate?
The canonical SMILES for prop-2-enoxy 2-hydroxybutane-1-sulfonate is C=CCOOS(=O)(=O)CC(O)CC.
What is the InChIKey of prop-2-enoxy 2-hydroxybutane-1-sulfonate?
The InChIKey is FYNVLIPGDPBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5S/c1-3-5-11-12-13(9,10)6-7(8)4-2/h3,7-8H,1,4-6H2,2H3.
What are the key properties of prop-2-enoxy 2-hydroxybutane-1-sulfonate?
prop-2-enoxy 2-hydroxybutane-1-sulfonate has a molecular weight of 210.25 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxy 2-hydroxybutane-1-sulfonate is sourced from PubChem (CID 175563350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).