2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate

C10H16O6 — CID 159156853

IUPAC2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO.C=CC(=O)OCCO
InChIInChI=1S/2C5H8O3/c1-4(2)5(7)8-3-6;1-2-5(7)8-4-3-6/h6H,1,3H2,2H3;2,6H,1,3-4H2
InChIKeyKJZRFMLJUDFNDA-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.24
Rot. Bonds5

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

2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate (PubChem CID 159156853) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
PubChem CID159156853
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO.C=CC(=O)OCCO
InChIInChI=1S/2C5H8O3/c1-4(2)5(7)8-3-6;1-2-5(7)8-4-3-6/h6H,1,3H2,2H3;2,6H,1,3-4H2
InChIKeyKJZRFMLJUDFNDA-UHFFFAOYSA-N
XLogP-0.24
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
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
4-hydroxybutyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87503275
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate (CID 159156853) is 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCO.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate?
The InChIKey is KJZRFMLJUDFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O3/c1-4(2)5(7)8-3-6;1-2-5(7)8-4-3-6/h6H,1,3H2,2H3;2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate?
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate has a molecular weight of 232.23 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 159156853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).