2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid

C13H22O4 — CID 122163691

IUPAC2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(C(=O)O)C(C)(C)C1(C)C
InChIInChI=1S/C13H22O4/c1-10(2,3)17-9(16)13(8(14)15)11(4,5)12(13,6)7/h1-7H3,(H,14,15)
InChIKeyHDNPSMJORNYWOV-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.47
Rot. Bonds2

About 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid

2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid (PubChem CID 122163691) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
PubChem CID122163691
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(C(=O)O)C(C)(C)C1(C)C
InChIInChI=1S/C13H22O4/c1-10(2,3)17-9(16)13(8(14)15)11(4,5)12(13,6)7/h1-7H3,(H,14,15)
InChIKeyHDNPSMJORNYWOV-UHFFFAOYSA-N
XLogP2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid (CID 122163691) is 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)C1(C(=O)O)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is HDNPSMJORNYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-10(2,3)17-9(16)13(8(14)15)11(4,5)12(13,6)7/h1-7H3,(H,14,15).
What are the key properties of 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 242.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122163691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).