3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid

C11H18O4 — CID 59834874

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1CC(C(=O)O)C1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-9(12)6-7-4-8(5-7)10(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyZNUHNXJFVFZURM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.83
Rot. Bonds3

About 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid

3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid (PubChem CID 59834874) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
PubChem CID59834874
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1CC(C(=O)O)C1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-9(12)6-7-4-8(5-7)10(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyZNUHNXJFVFZURM-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid (CID 59834874) is 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)CC1CC(C(=O)O)C1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZNUHNXJFVFZURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2,3)15-9(12)6-7-4-8(5-7)10(13)14/h7-8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid?
3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 59834874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).