2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate

C10H14O5 — CID 54009145

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=O)CC
InChIInChI=1S/C10H14O5/c1-4-8(11)10(13)15-6-5-14-9(12)7(2)3/h2,4-6H2,1,3H3
InChIKeyKRBBYSSQQNWKRO-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate

2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate (PubChem CID 54009145) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate
PubChem CID54009145
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=O)CC
InChIInChI=1S/C10H14O5/c1-4-8(11)10(13)15-6-5-14-9(12)7(2)3/h2,4-6H2,1,3H3
InChIKeyKRBBYSSQQNWKRO-UHFFFAOYSA-N
XLogP0.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate (CID 54009145) is 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate is C=C(C)C(=O)OCCOC(=O)C(=O)CC.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate?
The InChIKey is KRBBYSSQQNWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-8(11)10(13)15-6-5-14-9(12)7(2)3/h2,4-6H2,1,3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate has a molecular weight of 214.22 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-oxobutanoate is sourced from PubChem (CID 54009145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).