tert-butyl 2-(2,3-dioxocyclopentyl)acetate

C11H16O4 — CID 91496821

IUPACtert-butyl 2-(2,3-dioxocyclopentyl)acetate
SMILESCC(C)(C)OC(=O)CC1CCC(=O)C1=O
InChIInChI=1S/C11H16O4/c1-11(2,3)15-9(13)6-7-4-5-8(12)10(7)14/h7H,4-6H2,1-3H3
InChIKeyBRCDLWONNWLFNJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.27
Rot. Bonds2

About tert-butyl 2-(2,3-dioxocyclopentyl)acetate

tert-butyl 2-(2,3-dioxocyclopentyl)acetate (PubChem CID 91496821) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is tert-butyl 2-(2,3-dioxocyclopentyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,3-dioxocyclopentyl)acetate
PubChem CID91496821
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nametert-butyl 2-(2,3-dioxocyclopentyl)acetate
SMILESCC(C)(C)OC(=O)CC1CCC(=O)C1=O
InChIInChI=1S/C11H16O4/c1-11(2,3)15-9(13)6-7-4-5-8(12)10(7)14/h7H,4-6H2,1-3H3
InChIKeyBRCDLWONNWLFNJ-UHFFFAOYSA-N
XLogP1.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,3-dioxocyclopentyl)acetate
CID 91389872
tert-butyl 2-(3-methyl-2,4-dioxocyclohexyl)acetate
CID 23253643
tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117
tert-butyl 2-(2-oxo-3-prop-2-ynylcyclopentyl)acetate
CID 122443653
tert-butyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 141145832
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
(2,3-dioxocyclopentyl)methyl 2,2-dimethylbutanoate
CID 59779794
tert-butyl 2-(2-bromocyclohex-2-en-1-yl)acetate
CID 10880330
tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
CID 163782535
tert-butyl 2-[10-(hydroxymethyl)-2-oxoazecan-3-yl]acetate
CID 19930843
tert-butyl 2-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetate
CID 58550089
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,3-dioxocyclopentyl)acetate?
The IUPAC name of tert-butyl 2-(2,3-dioxocyclopentyl)acetate (CID 91496821) is tert-butyl 2-(2,3-dioxocyclopentyl)acetate.
What is the SMILES notation for tert-butyl 2-(2,3-dioxocyclopentyl)acetate?
The canonical SMILES for tert-butyl 2-(2,3-dioxocyclopentyl)acetate is CC(C)(C)OC(=O)CC1CCC(=O)C1=O.
What is the InChIKey of tert-butyl 2-(2,3-dioxocyclopentyl)acetate?
The InChIKey is BRCDLWONNWLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-11(2,3)15-9(13)6-7-4-5-8(12)10(7)14/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(2,3-dioxocyclopentyl)acetate?
tert-butyl 2-(2,3-dioxocyclopentyl)acetate has a molecular weight of 212.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,3-dioxocyclopentyl)acetate is sourced from PubChem (CID 91496821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).