bis(prop-1-enyl) sulfate

C6H10O4S — CID 141083359

IUPACbis(prop-1-enyl) sulfate
SMILESCC=COS(=O)(=O)OC=CC
InChIInChI=1S/C6H10O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H,1-2H3
InChIKeyXGNSIMRNTAVXRB-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.33
Rot. Bonds4

About bis(prop-1-enyl) sulfate

bis(prop-1-enyl) sulfate (PubChem CID 141083359) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is bis(prop-1-enyl) sulfate.

Molecular Properties

Compound Namebis(prop-1-enyl) sulfate
PubChem CID141083359
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Namebis(prop-1-enyl) sulfate
SMILESCC=COS(=O)(=O)OC=CC
InChIInChI=1S/C6H10O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H,1-2H3
InChIKeyXGNSIMRNTAVXRB-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
CID 175640044
[(E)-prop-1-enyl] butane-1-sulfonate
CID 90961411
prop-1-enyl 2-cyanoethanesulfonate
CID 91501748
prop-1-enyl N-prop-2-enoylsulfamate
CID 174424200
[(E)-prop-1-enyl] 4-aminobenzenesulfonate
CID 91805655
bis[(E)-hept-1-enyl] sulfate
CID 101286727
[(E)-prop-1-enyl] naphthalene-1-sulfonate
CID 91388365
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
dilithium;prop-1-enyl phosphate
CID 177307945
prop-1-enylmercury
CID 154078455
1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
CID 130422658
but-2-ene;1-methoxyprop-1-ene
CID 91394801

Frequently Asked Questions

What is the IUPAC name of bis(prop-1-enyl) sulfate?
The IUPAC name of bis(prop-1-enyl) sulfate (CID 141083359) is bis(prop-1-enyl) sulfate.
What is the SMILES notation for bis(prop-1-enyl) sulfate?
The canonical SMILES for bis(prop-1-enyl) sulfate is CC=COS(=O)(=O)OC=CC.
What is the InChIKey of bis(prop-1-enyl) sulfate?
The InChIKey is XGNSIMRNTAVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H,1-2H3.
What are the key properties of bis(prop-1-enyl) sulfate?
bis(prop-1-enyl) sulfate has a molecular weight of 178.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-enyl) sulfate is sourced from PubChem (CID 141083359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).