(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate

C7H10O4 — CID 22289237

IUPAC(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC
InChIInChI=1S/C7H10O4/c1-5(2)7(9)11-4-6(8)10-3/h1,4H2,2-3H3
InChIKeyQFRDYGWJZGSWIJ-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.28
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate

(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate (PubChem CID 22289237) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
PubChem CID22289237
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC
InChIInChI=1S/C7H10O4/c1-5(2)7(9)11-4-6(8)10-3/h1,4H2,2-3H3
InChIKeyQFRDYGWJZGSWIJ-UHFFFAOYSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.28
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

[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
methyl 2-prop-1-en-2-yloxyacetate
CID 90436519
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
(2-methoxy-2-oxoethyl) 2-methylidenebutanoate
CID 137398094
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
[2-[diacetyloxy(ethyl)silyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 150072547
4-O-(2-methoxy-2-oxoethyl) 1-O-methyl (E)-2,3-dibromobut-2-enedioate
CID 11024798
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate (CID 22289237) is (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate?
The InChIKey is QFRDYGWJZGSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(2)7(9)11-4-6(8)10-3/h1,4H2,2-3H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate?
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate has a molecular weight of 158.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22289237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).