ethyl 2-methyl-4-prop-2-enoyloxybutanoate

C10H16O4 — CID 59157368

IUPACethyl 2-methyl-4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCC(C)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-4-9(11)14-7-6-8(3)10(12)13-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyGXNXJDQJJHEDGT-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds6

About ethyl 2-methyl-4-prop-2-enoyloxybutanoate

ethyl 2-methyl-4-prop-2-enoyloxybutanoate (PubChem CID 59157368) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-methyl-4-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-prop-2-enoyloxybutanoate
PubChem CID59157368
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-methyl-4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCC(C)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-4-9(11)14-7-6-8(3)10(12)13-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyGXNXJDQJJHEDGT-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
3-chlorohexyl prop-2-enoate
CID 150301446
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
3-hydroxyheptadecyl prop-2-enoate
CID 89438234
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
4-hydroxyoctyl prop-2-enoate
CID 142754995
ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
CID 134571182
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-prop-2-enoyloxybutanoate?
The IUPAC name of ethyl 2-methyl-4-prop-2-enoyloxybutanoate (CID 59157368) is ethyl 2-methyl-4-prop-2-enoyloxybutanoate.
What is the SMILES notation for ethyl 2-methyl-4-prop-2-enoyloxybutanoate?
The canonical SMILES for ethyl 2-methyl-4-prop-2-enoyloxybutanoate is C=CC(=O)OCCC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-4-prop-2-enoyloxybutanoate?
The InChIKey is GXNXJDQJJHEDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-9(11)14-7-6-8(3)10(12)13-5-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of ethyl 2-methyl-4-prop-2-enoyloxybutanoate?
ethyl 2-methyl-4-prop-2-enoyloxybutanoate has a molecular weight of 200.23 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-prop-2-enoyloxybutanoate is sourced from PubChem (CID 59157368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).