2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate

C16H24O6 — CID 143201092

IUPAC2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.CCOC(C)(C)C(=O)C1C(=O)CCC1=O
InChIInChI=1S/C11H16O4.C5H8O2/c1-4-15-11(2,3)10(14)9-7(12)5-6-8(9)13;1-3-5(6)7-4-2/h9H,4-6H2,1-3H3;3H,1,4H2,2H3
InChIKeySXHVMWRPAMGLDE-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.65
Rot. Bonds6

About 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate

2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate (PubChem CID 143201092) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate
PubChem CID143201092
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.CCOC(C)(C)C(=O)C1C(=O)CCC1=O
InChIInChI=1S/C11H16O4.C5H8O2/c1-4-15-11(2,3)10(14)9-7(12)5-6-8(9)13;1-3-5(6)7-4-2/h9H,4-6H2,1-3H3;3H,1,4H2,2H3
InChIKeySXHVMWRPAMGLDE-UHFFFAOYSA-N
XLogP1.65
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate?
The IUPAC name of 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate (CID 143201092) is 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate?
The canonical SMILES for 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate is C=CC(=O)OCC.CCOC(C)(C)C(=O)C1C(=O)CCC1=O.
What is the InChIKey of 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate?
The InChIKey is SXHVMWRPAMGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.C5H8O2/c1-4-15-11(2,3)10(14)9-7(12)5-6-8(9)13;1-3-5(6)7-4-2/h9H,4-6H2,1-3H3;3H,1,4H2,2H3.
What are the key properties of 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate?
2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate has a molecular weight of 312.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-methylpropanoyl)cyclopentane-1,3-dione;ethyl prop-2-enoate is sourced from PubChem (CID 143201092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).