2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid

C11H18O5S — CID 23028064

IUPAC2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid
SMILESC=C(C(=O)OCCS(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C11H18O5S/c1-9(10-5-3-2-4-6-10)11(12)16-7-8-17(13,14)15/h10H,1-8H2,(H,13,14,15)
InChIKeyRVZYUONHQNUAOX-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.55
Rot. Bonds5

About 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid

2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid (PubChem CID 23028064) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid
PubChem CID23028064
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid
SMILESC=C(C(=O)OCCS(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C11H18O5S/c1-9(10-5-3-2-4-6-10)11(12)16-7-8-17(13,14)15/h10H,1-8H2,(H,13,14,15)
InChIKeyRVZYUONHQNUAOX-UHFFFAOYSA-N
XLogP1.55
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexanecarbonyloxy)ethanesulfonic acid
CID 59360397
propyl 2-cyclopentylprop-2-enoate
CID 174733277
5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
CID 69230771
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
2-(2-oxobut-3-enoyloxy)ethanesulfonic acid
CID 22370936
2-[2-(methoxymethoxycarbonyl)cyclohexanecarbonyl]oxyethanesulfonic acid
CID 129061911
2-(2-sulfoethoxycarbothioyloxy)ethanesulfonic acid
CID 4604060
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
3-(cyclohexylcarbamoyloxy)propane-1-sulfonic acid
CID 118371123
3-cycloheptylbut-3-en-2-one
CID 89298761
cyclopentylcyclopentane;propane-1,3-disulfonic acid
CID 174762180

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid?
The IUPAC name of 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid (CID 23028064) is 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid.
What is the SMILES notation for 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid?
The canonical SMILES for 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid is C=C(C(=O)OCCS(=O)(=O)O)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid?
The InChIKey is RVZYUONHQNUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-9(10-5-3-2-4-6-10)11(12)16-7-8-17(13,14)15/h10H,1-8H2,(H,13,14,15).
What are the key properties of 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid?
2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid has a molecular weight of 262.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid is sourced from PubChem (CID 23028064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).