prop-2-enyl 2-propoxyethyl sulfate

C8H16O5S — CID 87060829

IUPACprop-2-enyl 2-propoxyethyl sulfate
SMILESC=CCOS(=O)(=O)OCCOCCC
InChIInChI=1S/C8H16O5S/c1-3-5-11-7-8-13-14(9,10)12-6-4-2/h4H,2-3,5-8H2,1H3
InChIKeyZKOFRYRGGSMVPK-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.88
Rot. Bonds9

About prop-2-enyl 2-propoxyethyl sulfate

prop-2-enyl 2-propoxyethyl sulfate (PubChem CID 87060829) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is prop-2-enyl 2-propoxyethyl sulfate.

Molecular Properties

Compound Nameprop-2-enyl 2-propoxyethyl sulfate
PubChem CID87060829
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Nameprop-2-enyl 2-propoxyethyl sulfate
SMILESC=CCOS(=O)(=O)OCCOCCC
InChIInChI=1S/C8H16O5S/c1-3-5-11-7-8-13-14(9,10)12-6-4-2/h4H,2-3,5-8H2,1H3
InChIKeyZKOFRYRGGSMVPK-UHFFFAOYSA-N
XLogP0.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethyl prop-2-enyl sulfate;hydride
CID 173210575
ethoxy prop-2-enyl sulfate
CID 87065036
sodium 2-propoxyethyl sulfate
CID 101475509
bis[3-(2-butoxyethoxy)propyl] sulfate
CID 139845241
N,N-dimethylethanamine;ethyl prop-2-enyl sulfate
CID 87856591
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-prop-2-enoxypropane
CID 157267338
1-dodecoxydodecane;prop-2-enyl hydrogen sulfate;sulfuric acid
CID 174806499
2-propoxyethyl trifluoromethanesulfonate
CID 106509992
2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
CID 159515193
ethyl propyl sulfate;hydrochloride
CID 175489043
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-propoxyethyl sulfate?
The IUPAC name of prop-2-enyl 2-propoxyethyl sulfate (CID 87060829) is prop-2-enyl 2-propoxyethyl sulfate.
What is the SMILES notation for prop-2-enyl 2-propoxyethyl sulfate?
The canonical SMILES for prop-2-enyl 2-propoxyethyl sulfate is C=CCOS(=O)(=O)OCCOCCC.
What is the InChIKey of prop-2-enyl 2-propoxyethyl sulfate?
The InChIKey is ZKOFRYRGGSMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-3-5-11-7-8-13-14(9,10)12-6-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of prop-2-enyl 2-propoxyethyl sulfate?
prop-2-enyl 2-propoxyethyl sulfate has a molecular weight of 224.28 g/mol, XLogP of 0.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-propoxyethyl sulfate is sourced from PubChem (CID 87060829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).