2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate

C24H40O12 — CID 159540810

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCO.C=CC(=O)OCC(C)O.C=CC(=O)OCCO
InChIInChI=1S/C7H12O3.2C6H10O3.C5H8O3/c1-5(2)7(9)10-4-6(3)8;1-5(2)6(8)9-4-3-7;1-3-6(8)9-4-5(2)7;1-2-5(7)8-4-3-6/h6,8H,1,4H2,2-3H3;7H,1,3-4H2,2H3;3,5,7H,1,4H2,2H3;2,6H,1,3-4H2
InChIKeyMEEJQCKVKBKCGF-UHFFFAOYSA-N
MW520.57 g/mol
LogP0.39
Rot. Bonds12

About 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate

2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate (PubChem CID 159540810) has the molecular formula C24H40O12 and a molecular weight of 520.57 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
PubChem CID159540810
Molecular FormulaC24H40O12
Molecular Weight520.57 g/mol
Exact Mass520.25
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCO.C=CC(=O)OCC(C)O.C=CC(=O)OCCO
InChIInChI=1S/C7H12O3.2C6H10O3.C5H8O3/c1-5(2)7(9)10-4-6(3)8;1-5(2)6(8)9-4-3-7;1-3-6(8)9-4-5(2)7;1-2-5(7)8-4-3-6/h6,8H,1,4H2,2-3H3;7H,1,3-4H2,2H3;3,5,7H,1,4H2,2H3;2,6H,1,3-4H2
InChIKeyMEEJQCKVKBKCGF-UHFFFAOYSA-N
XLogP0.39
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
CID 174939081
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 172788583
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
(Z)-but-2-enedioic acid;2-hydroxyethyl prop-2-enoate;2-methylprop-2-eneperoxoic acid
CID 159827497
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate (CID 159540810) is 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate is C=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCO.C=CC(=O)OCC(C)O.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate?
The InChIKey is MEEJQCKVKBKCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.2C6H10O3.C5H8O3/c1-5(2)7(9)10-4-6(3)8;1-5(2)6(8)9-4-3-7;1-3-6(8)9-4-5(2)7;1-2-5(7)8-4-3-6/h6,8H,1,4H2,2-3H3;7H,1,3-4H2,2H3;3,5,7H,1,4H2,2H3;2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate?
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate has a molecular weight of 520.57 g/mol, XLogP of 0.39, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate is sourced from PubChem (CID 159540810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).