ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

C12H20O5 — CID 3082253

IUPACethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCCO
InChIInChI=1S/C6H10O3.C6H10O2/c1-5(2)6(8)9-4-3-7;1-4-8-6(7)5(2)3/h7H,1,3-4H2,2H3;2,4H2,1,3H3
InChIKeyYXDZNWKMCVFFBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.22
Rot. Bonds5

About ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 3082253) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID3082253
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCCO
InChIInChI=1S/C6H10O3.C6H10O2/c1-5(2)6(8)9-4-3-7;1-4-8-6(7)5(2)3/h7H,1,3-4H2,2H3;2,4H2,1,3H3
InChIKeyYXDZNWKMCVFFBD-UHFFFAOYSA-N
XLogP1.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (CID 3082253) is ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.C=C(C)C(=O)OCCO.
What is the InChIKey of ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is YXDZNWKMCVFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H10O2/c1-5(2)6(8)9-4-3-7;1-4-8-6(7)5(2)3/h7H,1,3-4H2,2H3;2,4H2,1,3H3.
What are the key properties of ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 3082253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).