2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol

C12H22O7 — CID 159522271

IUPAC2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
SMILESC=C(C)C(=O)O.C=CC(=O)OCCO.CC(O)CO
InChIInChI=1S/C5H8O3.C4H6O2.C3H8O2/c1-2-5(7)8-4-3-6;1-3(2)4(5)6;1-3(5)2-4/h2,6H,1,3-4H2;1H2,2H3,(H,5,6);3-5H,2H2,1H3
InChIKeyMBYKMRSOGPXFDO-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.29
Rot. Bonds5

About 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol

2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol (PubChem CID 159522271) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
PubChem CID159522271
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
SMILESC=C(C)C(=O)O.C=CC(=O)OCCO.CC(O)CO
InChIInChI=1S/C5H8O3.C4H6O2.C3H8O2/c1-2-5(7)8-4-3-6;1-3(2)4(5)6;1-3(5)2-4/h2,6H,1,3-4H2;1H2,2H3,(H,5,6);3-5H,2H2,1H3
InChIKeyMBYKMRSOGPXFDO-UHFFFAOYSA-N
XLogP-0.29
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethyl acetate;2-hydroxyethyl prop-2-enoate
CID 161101194
(Z)-but-2-enedioic acid;2-hydroxyethyl prop-2-enoate;2-methylprop-2-eneperoxoic acid
CID 159827497
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
2-hydroxyethyl acetate;propane-1,2-diol
CID 158780453

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol (CID 159522271) is 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol is C=C(C)C(=O)O.C=CC(=O)OCCO.CC(O)CO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol?
The InChIKey is MBYKMRSOGPXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H6O2.C3H8O2/c1-2-5(7)8-4-3-6;1-3(2)4(5)6;1-3(5)2-4/h2,6H,1,3-4H2;1H2,2H3,(H,5,6);3-5H,2H2,1H3.
What are the key properties of 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol?
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol has a molecular weight of 278.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol is sourced from PubChem (CID 159522271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).