[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate

C11H18O4 — CID 142797891

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
SMILESCC(C)(C)OC(=O)COC(=O)C1CCC1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-9(12)7-14-10(13)8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeyTYMJRDDCDPVMTB-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds3

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 142797891) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID142797891
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
SMILESCC(C)(C)OC(=O)COC(=O)C1CCC1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-9(12)7-14-10(13)8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeyTYMJRDDCDPVMTB-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
CID 20698001
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl cyclohexanecarboxylate
CID 121403038
tert-butyl cyclododecanecarboxylate
CID 154013086
bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 22023846
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methanedithioic acid
CID 174864442
tert-butyl cyclopropanecarboxylate
CID 157212632
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl cycloheptanecarboxylate
CID 68733385
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
prop-2-ynyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 164579703
4-O-tert-butyl 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983945
tert-butyl 2-(cyclopentanecarbonylamino)acetate
CID 123696523

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate (CID 142797891) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate is CC(C)(C)OC(=O)COC(=O)C1CCC1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is TYMJRDDCDPVMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2,3)15-9(12)7-14-10(13)8-5-4-6-8/h8H,4-7H2,1-3H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 142797891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).