(2-ethyl-3-oxobutyl) 2-methylprop-2-enoate

C10H16O3 — CID 20778541

IUPAC(2-ethyl-3-oxobutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)C(C)=O
InChIInChI=1S/C10H16O3/c1-5-9(8(4)11)6-13-10(12)7(2)3/h9H,2,5-6H2,1,3-4H3
InChIKeySSKQJGXLZLFZIJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.72
Rot. Bonds5

About (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate

(2-ethyl-3-oxobutyl) 2-methylprop-2-enoate (PubChem CID 20778541) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-3-oxobutyl) 2-methylprop-2-enoate
PubChem CID20778541
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2-ethyl-3-oxobutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)C(C)=O
InChIInChI=1S/C10H16O3/c1-5-9(8(4)11)6-13-10(12)7(2)3/h9H,2,5-6H2,1,3-4H3
InChIKeySSKQJGXLZLFZIJ-UHFFFAOYSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylbutyl methacrylate
CID 78817
3-Methylpentyl 2-methylprop-2-enoate
CID 18361659
3-[(2-Methylacryloyl)oxy]propyl 3-oxobutanoate
CID 20789162
4-(Methacryloyloxy)butyl acetoacetate
CID 23115905
2-Butyrylethyl methacrylate
CID 101051909
1,1-Dimethyl-3-oxobutyl methacrylate
CID 16205882
Methyl-2-(methacryloyloxyethyl) malonate
CID 129774086
2-Methoxycarbonylprop-2-enyl 2-acetylpent-4-enoate
CID 54762734
2-Pentanone, 4-(acetyloxy)-3-methylene-
CID 10558847
Prop-2-enyl 2-ethyl-3-oxobutanoate
CID 14360040
Copper bis(2-[2-(2-methylprop-2-enoyloxy)ethyl]-3-oxobutanoate)
CID 19041868
[3-Methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 19428949

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate?
The IUPAC name of (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate (CID 20778541) is (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)C(C)=O.
What is the InChIKey of (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate?
The InChIKey is SSKQJGXLZLFZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-9(8(4)11)6-13-10(12)7(2)3/h9H,2,5-6H2,1,3-4H3.
What are the key properties of (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate?
(2-ethyl-3-oxobutyl) 2-methylprop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-oxobutyl) 2-methylprop-2-enoate is sourced from PubChem (CID 20778541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).