1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid

C9H14O4 — CID 21453253

IUPAC1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid
SMILESCC1(C)C(C)(C(=O)O)C1(C)C(=O)O
InChIInChI=1S/C9H14O4/c1-7(2)8(3,5(10)11)9(7,4)6(12)13/h1-4H3,(H,10,11)(H,12,13)
InChIKeyPMHBCYOQNVXIDI-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.21
Rot. Bonds2

About 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid

1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid (PubChem CID 21453253) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid
PubChem CID21453253
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid
SMILESCC1(C)C(C)(C(=O)O)C1(C)C(=O)O
InChIInChI=1S/C9H14O4/c1-7(2)8(3,5(10)11)9(7,4)6(12)13/h1-4H3,(H,10,11)(H,12,13)
InChIKeyPMHBCYOQNVXIDI-UHFFFAOYSA-N
XLogP1.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid (CID 21453253) is 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid is CC1(C)C(C)(C(=O)O)C1(C)C(=O)O.
What is the InChIKey of 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is PMHBCYOQNVXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-7(2)8(3,5(10)11)9(7,4)6(12)13/h1-4H3,(H,10,11)(H,12,13).
What are the key properties of 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid?
1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 21453253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).