2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate

C18H24O8S — CID 86759870

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=CC(=O)OCCOS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14O5S.C6H10O3/c1-3-12(13)16-8-9-17-18(14,15)11-6-4-10(2)5-7-11;1-5(2)6(8)9-4-3-7/h3-7H,1,8-9H2,2H3;7H,1,3-4H2,2H3
InChIKeyOVHDLADPJHAZDL-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.53
Rot. Bonds9

About 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate

2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate (PubChem CID 86759870) has the molecular formula C18H24O8S and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate
PubChem CID86759870
Molecular FormulaC18H24O8S
Molecular Weight400.45 g/mol
Exact Mass400.12
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=CC(=O)OCCOS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14O5S.C6H10O3/c1-3-12(13)16-8-9-17-18(14,15)11-6-4-10(2)5-7-11;1-5(2)6(8)9-4-3-7/h3-7H,1,8-9H2,2H3;7H,1,3-4H2,2H3
InChIKeyOVHDLADPJHAZDL-UHFFFAOYSA-N
XLogP1.53
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonylethyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86590142
2-[4-[2-(2-methylprop-2-enoyloxy)ethoxysulfonyl]phenyl]ethenesulfonic acid
CID 57262237
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
butyl prop-2-enoate;2-(diethylamino)ethyl 2-methylprop-2-enoate;methyl 4-methylbenzenesulfonate;methyl 2-methylprop-2-enoate
CID 170853349
2-(2-hydroxyethoxy)ethanol;2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
CID 159030358
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 161353449
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 173100984
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
CID 123212080
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate (CID 86759870) is 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate is C=C(C)C(=O)OCCO.C=CC(=O)OCCOS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate?
The InChIKey is OVHDLADPJHAZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5S.C6H10O3/c1-3-12(13)16-8-9-17-18(14,15)11-6-4-10(2)5-7-11;1-5(2)6(8)9-4-3-7/h3-7H,1,8-9H2,2H3;7H,1,3-4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate?
2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate has a molecular weight of 400.45 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;2-(4-methylphenyl)sulfonyloxyethyl prop-2-enoate is sourced from PubChem (CID 86759870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).