1-hydroxyethyl 2-methylprop-2-enoate

C6H10O3 — CID 15752066

IUPAC1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)O
InChIInChI=1S/C6H10O3/c1-4(2)6(8)9-5(3)7/h5,7H,1H2,2-3H3
InChIKeyIISHLYLZTYTIJJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.44
Rot. Bonds2

About 1-hydroxyethyl 2-methylprop-2-enoate

1-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 15752066) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-hydroxyethyl 2-methylprop-2-enoate
PubChem CID15752066
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)O
InChIInChI=1S/C6H10O3/c1-4(2)6(8)9-5(3)7/h5,7H,1H2,2-3H3
InChIKeyIISHLYLZTYTIJJ-UHFFFAOYSA-N
XLogP0.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1-hydroxyethyl 2-methylprop-2-enoate (CID 15752066) is 1-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)O.
What is the InChIKey of 1-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is IISHLYLZTYTIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(2)6(8)9-5(3)7/h5,7H,1H2,2-3H3.
What are the key properties of 1-hydroxyethyl 2-methylprop-2-enoate?
1-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 130.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15752066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).