1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid

C6H10O4 — CID 130328170

IUPAC1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid
SMILESO=C(OO)C1(CO)CCC1
InChIInChI=1S/C6H10O4/c7-4-6(2-1-3-6)5(8)10-9/h7,9H,1-4H2
InChIKeyZYZAUCVVESTAGE-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.17
Rot. Bonds2

About 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid

1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid (PubChem CID 130328170) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid.

Molecular Properties

Compound Name1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid
PubChem CID130328170
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid
SMILESO=C(OO)C1(CO)CCC1
InChIInChI=1S/C6H10O4/c7-4-6(2-1-3-6)5(8)10-9/h7,9H,1-4H2
InChIKeyZYZAUCVVESTAGE-UHFFFAOYSA-N
XLogP0.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid with MolForge

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

Launch Full Analysis

Related Compounds

butyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 176639183
formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 87297782
1-(hydroxymethyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 115183973
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-(iodomethyl)cyclobutane-1-carboxylic acid
CID 130873802
1-methylcyclopentane-1-carboperoxoic acid
CID 156838761
3-methylbutyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 176870184
cyclopentyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446204
methyl 4-(hydroxymethyl)-1-methoxypiperidine-4-carboxylate
CID 58427978
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid?
The IUPAC name of 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid (CID 130328170) is 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid.
What is the SMILES notation for 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid?
The canonical SMILES for 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid is O=C(OO)C1(CO)CCC1.
What is the InChIKey of 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid?
The InChIKey is ZYZAUCVVESTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-4-6(2-1-3-6)5(8)10-9/h7,9H,1-4H2.
What are the key properties of 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid?
1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)cyclobutane-1-carboperoxoic acid is sourced from PubChem (CID 130328170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).