1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid

C10H16O6 — CID 13092881

IUPAC1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid
SMILESCC1(C(=O)OO)CCC(C(=O)OO)C1(C)C
InChIInChI=1S/C10H16O6/c1-9(2)6(7(11)15-13)4-5-10(9,3)8(12)16-14/h6,13-14H,4-5H2,1-3H3
InChIKeyKABIUTSICXJJJV-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.46
Rot. Bonds2

About 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid

1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid (PubChem CID 13092881) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid.

Molecular Properties

Compound Name1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid
PubChem CID13092881
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid
SMILESCC1(C(=O)OO)CCC(C(=O)OO)C1(C)C
InChIInChI=1S/C10H16O6/c1-9(2)6(7(11)15-13)4-5-10(9,3)8(12)16-14/h6,13-14H,4-5H2,1-3H3
InChIKeyKABIUTSICXJJJV-UHFFFAOYSA-N
XLogP1.46
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid?
The IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid (CID 13092881) is 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid.
What is the SMILES notation for 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid?
The canonical SMILES for 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid is CC1(C(=O)OO)CCC(C(=O)OO)C1(C)C.
What is the InChIKey of 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid?
The InChIKey is KABIUTSICXJJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-9(2)6(7(11)15-13)4-5-10(9,3)8(12)16-14/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid?
1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid has a molecular weight of 232.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid is sourced from PubChem (CID 13092881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).