1-methylcyclopentane-1-carboperoxoic acid

C7H12O3 — CID 156838761

IUPAC1-methylcyclopentane-1-carboperoxoic acid
SMILESCC1(C(=O)OO)CCCC1
InChIInChI=1S/C7H12O3/c1-7(6(8)10-9)4-2-3-5-7/h9H,2-5H2,1H3
InChIKeyWLQORPKQGARRRM-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.58
Rot. Bonds1

About 1-methylcyclopentane-1-carboperoxoic acid

1-methylcyclopentane-1-carboperoxoic acid (PubChem CID 156838761) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-methylcyclopentane-1-carboperoxoic acid.

Molecular Properties

Compound Name1-methylcyclopentane-1-carboperoxoic acid
PubChem CID156838761
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-methylcyclopentane-1-carboperoxoic acid
SMILESCC1(C(=O)OO)CCCC1
InChIInChI=1S/C7H12O3/c1-7(6(8)10-9)4-2-3-5-7/h9H,2-5H2,1H3
InChIKeyWLQORPKQGARRRM-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino 1-methylcyclobutane-1-carboxylate
CID 118650496
(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
CID 150043485
2-hydroxyethyl 1-methylcyclohexane-1-carboxylate
CID 165353506
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
2-sulfanylidenepropyl 1-methylcyclopentane-1-carboxylate
CID 171620099
2-methylprop-2-enyl 1-methylcyclohexane-1-carboxylate
CID 171620113
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540
ethylsulfanylcarbonyl 1-methylcyclohexane-1-carboperoxoate
CID 172768145
2-methylpentan-3-yl 1-methylcyclohexane-1-carboxylate
CID 129191712
(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone
CID 6426216
1-acetylcyclopropane-1-carboperoxoic acid
CID 118398871
1-methyl-N-oxocyclopentane-1-carboxamide
CID 88939898

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopentane-1-carboperoxoic acid?
The IUPAC name of 1-methylcyclopentane-1-carboperoxoic acid (CID 156838761) is 1-methylcyclopentane-1-carboperoxoic acid.
What is the SMILES notation for 1-methylcyclopentane-1-carboperoxoic acid?
The canonical SMILES for 1-methylcyclopentane-1-carboperoxoic acid is CC1(C(=O)OO)CCCC1.
What is the InChIKey of 1-methylcyclopentane-1-carboperoxoic acid?
The InChIKey is WLQORPKQGARRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(6(8)10-9)4-2-3-5-7/h9H,2-5H2,1H3.
What are the key properties of 1-methylcyclopentane-1-carboperoxoic acid?
1-methylcyclopentane-1-carboperoxoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopentane-1-carboperoxoic acid is sourced from PubChem (CID 156838761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).