dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate

C10H14O6 — CID 89116228

IUPACdimethyl 2-(2-methylprop-2-enoyloxy)butanedioate
SMILESC=C(C)C(=O)OC(CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O6/c1-6(2)9(12)16-7(10(13)15-4)5-8(11)14-3/h7H,1,5H2,2-4H3
InChIKeyVFEMAPLVHYXTKC-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.21
Rot. Bonds5

About dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate

dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate (PubChem CID 89116228) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-methylprop-2-enoyloxy)butanedioate
PubChem CID89116228
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namedimethyl 2-(2-methylprop-2-enoyloxy)butanedioate
SMILESC=C(C)C(=O)OC(CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O6/c1-6(2)9(12)16-7(10(13)15-4)5-8(11)14-3/h7H,1,5H2,2-4H3
InChIKeyVFEMAPLVHYXTKC-UHFFFAOYSA-N
XLogP0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
dimethyl (2R)-2-acetyloxybutanedioate
CID 12723152
dimethyl 2,3-bis[(1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy]butanedioate
CID 88553476
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
methyl 5-(dimethylamino)-2-methyl-4-(2-methylprop-2-enoyloxy)-5-oxopentanoate
CID 20826105
2-(2-methylprop-2-enoyloxy)-4-oxopentanoic acid
CID 174633103
3-methoxycarbonyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 87140366
dimethyl 2-propoxybutanedioate
CID 551334
methyl 3-methylbutanoate;2-methylprop-2-enoic acid
CID 174979743
dilithium;2-(2-methylprop-2-enoyloxy)butanedioate
CID 122611626
methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate
CID 88821201
diaminomethyl 2-methylprop-2-enoate
CID 18522879

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate?
The IUPAC name of dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate (CID 89116228) is dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate.
What is the SMILES notation for dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate?
The canonical SMILES for dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate is C=C(C)C(=O)OC(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate?
The InChIKey is VFEMAPLVHYXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-6(2)9(12)16-7(10(13)15-4)5-8(11)14-3/h7H,1,5H2,2-4H3.
What are the key properties of dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate?
dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate has a molecular weight of 230.22 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate is sourced from PubChem (CID 89116228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).