diethyl 2-ethenyl-2-methylpropanedioate

C10H16O4 — CID 12609579

IUPACdiethyl 2-ethenyl-2-methylpropanedioate
SMILESC=CC(C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5H,1,6-7H2,2-4H3
InChIKeyZSRMDDFULBFKCP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds5

About diethyl 2-ethenyl-2-methylpropanedioate

diethyl 2-ethenyl-2-methylpropanedioate (PubChem CID 12609579) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is diethyl 2-ethenyl-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-ethenyl-2-methylpropanedioate
PubChem CID12609579
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namediethyl 2-ethenyl-2-methylpropanedioate
SMILESC=CC(C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5H,1,6-7H2,2-4H3
InChIKeyZSRMDDFULBFKCP-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethenyl-2-methylpropanedioate?
The IUPAC name of diethyl 2-ethenyl-2-methylpropanedioate (CID 12609579) is diethyl 2-ethenyl-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-ethenyl-2-methylpropanedioate?
The canonical SMILES for diethyl 2-ethenyl-2-methylpropanedioate is C=CC(C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-ethenyl-2-methylpropanedioate?
The InChIKey is ZSRMDDFULBFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5H,1,6-7H2,2-4H3.
What are the key properties of diethyl 2-ethenyl-2-methylpropanedioate?
diethyl 2-ethenyl-2-methylpropanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethenyl-2-methylpropanedioate is sourced from PubChem (CID 12609579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).