3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid

C9H12O6 — CID 175588676

IUPAC3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid
SMILESCC(C)OC(=O)C1C(C(=O)O)C1C(=O)O
InChIInChI=1S/C9H12O6/c1-3(2)15-9(14)6-4(7(10)11)5(6)8(12)13/h3-6H,1-2H3,(H,10,11)(H,12,13)
InChIKeyWNYUGXSZMXYUTL-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.03
Rot. Bonds4

About 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid

3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid (PubChem CID 175588676) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid
PubChem CID175588676
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid
SMILESCC(C)OC(=O)C1C(C(=O)O)C1C(=O)O
InChIInChI=1S/C9H12O6/c1-3(2)15-9(14)6-4(7(10)11)5(6)8(12)13/h3-6H,1-2H3,(H,10,11)(H,12,13)
InChIKeyWNYUGXSZMXYUTL-UHFFFAOYSA-N
XLogP-0.03
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid (CID 175588676) is 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid is CC(C)OC(=O)C1C(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is WNYUGXSZMXYUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c1-3(2)15-9(14)6-4(7(10)11)5(6)8(12)13/h3-6H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid?
3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid has a molecular weight of 216.19 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 175588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).