methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate

C15H22O7 — CID 131728346

IUPACmethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCOC(=O)CC(C)=O
InChIInChI=1S/C10H14O5.C5H8O2/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;1-4(2)5(6)7-3/h1,4-6H2,2-3H3;1H2,2-3H3
InChIKeyKVHQHTSHXHFDOL-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.36
Rot. Bonds7

About methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate

methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate (PubChem CID 131728346) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
PubChem CID131728346
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Namemethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCOC(=O)CC(C)=O
InChIInChI=1S/C10H14O5.C5H8O2/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;1-4(2)5(6)7-3/h1,4-6H2,2-3H3;1H2,2-3H3
InChIKeyKVHQHTSHXHFDOL-UHFFFAOYSA-N
XLogP1.36
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
methane;2-methylprop-2-enoyloxymethyl 3-oxobutanoate
CID 159376131
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
methanamine;2-(2-methylprop-2-enoyloxy)ethyl (Z)-3-(methylamino)but-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 158387580
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
CID 10047362
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate?
The IUPAC name of methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate (CID 131728346) is methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate.
What is the SMILES notation for methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate?
The canonical SMILES for methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCOC(=O)CC(C)=O.
What is the InChIKey of methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate?
The InChIKey is KVHQHTSHXHFDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C5H8O2/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;1-4(2)5(6)7-3/h1,4-6H2,2-3H3;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate?
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate has a molecular weight of 314.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate is sourced from PubChem (CID 131728346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).