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

C12H20O4 — CID 58529257

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1CCC(C(=O)O)C1
InChIInChI=1S/C12H20O4/c1-12(2,3)16-10(13)7-8-4-5-9(6-8)11(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyWCWLIMUAFBLJDG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.22
Rot. Bonds3

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

3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 58529257) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID58529257
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1CCC(C(=O)O)C1
InChIInChI=1S/C12H20O4/c1-12(2,3)16-10(13)7-8-4-5-9(6-8)11(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyWCWLIMUAFBLJDG-UHFFFAOYSA-N
XLogP2.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.22
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 58529257) is 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)CC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is WCWLIMUAFBLJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-12(2,3)16-10(13)7-8-4-5-9(6-8)11(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid?
3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 2.22, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 58529257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).