2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene

C8H18O5S — CID 157374719

IUPAC2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene
SMILESC=CC.COCCOCCS(=O)(=O)O
InChIInChI=1S/C5H12O5S.C3H6/c1-9-2-3-10-4-5-11(6,7)8;1-3-2/h2-5H2,1H3,(H,6,7,8);3H,1H2,2H3
InChIKeyBKEKXHPTFNYPGD-UHFFFAOYSA-N
MW226.29 g/mol
LogP0.73
Rot. Bonds6

About 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene

2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene (PubChem CID 157374719) has the molecular formula C8H18O5S and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene
PubChem CID157374719
Molecular FormulaC8H18O5S
Molecular Weight226.29 g/mol
Exact Mass226.09
IUPAC Name2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene
SMILESC=CC.COCCOCCS(=O)(=O)O
InChIInChI=1S/C5H12O5S.C3H6/c1-9-2-3-10-4-5-11(6,7)8;1-3-2/h2-5H2,1H3,(H,6,7,8);3H,1H2,2H3
InChIKeyBKEKXHPTFNYPGD-UHFFFAOYSA-N
XLogP0.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
CID 19077305
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 175793636
2-prop-2-enoylperoxyethanesulfonic acid
CID 22666724
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]-3-methylbutanoic acid
CID 105354526
2-[2-(4-hydroxybutoxy)ethoxy]ethanesulfonic acid
CID 140996292
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene?
The IUPAC name of 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene (CID 157374719) is 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene.
What is the SMILES notation for 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene?
The canonical SMILES for 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene is C=CC.COCCOCCS(=O)(=O)O.
What is the InChIKey of 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene?
The InChIKey is BKEKXHPTFNYPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5S.C3H6/c1-9-2-3-10-4-5-11(6,7)8;1-3-2/h2-5H2,1H3,(H,6,7,8);3H,1H2,2H3.
What are the key properties of 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene?
2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene has a molecular weight of 226.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene is sourced from PubChem (CID 157374719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).