2-cyclopentyl-2-hydroxyethaneperoxoic acid

C7H12O4 — CID 90238839

IUPAC2-cyclopentyl-2-hydroxyethaneperoxoic acid
SMILESO=C(OO)C(O)C1CCCC1
InChIInChI=1S/C7H12O4/c8-6(7(9)11-10)5-3-1-2-4-5/h5-6,8,10H,1-4H2
InChIKeyIDEPKFCZUFQDNX-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.55
Rot. Bonds2

About 2-cyclopentyl-2-hydroxyethaneperoxoic acid

2-cyclopentyl-2-hydroxyethaneperoxoic acid (PubChem CID 90238839) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxyethaneperoxoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxyethaneperoxoic acid
PubChem CID90238839
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-cyclopentyl-2-hydroxyethaneperoxoic acid
SMILESO=C(OO)C(O)C1CCCC1
InChIInChI=1S/C7H12O4/c8-6(7(9)11-10)5-3-1-2-4-5/h5-6,8,10H,1-4H2
InChIKeyIDEPKFCZUFQDNX-UHFFFAOYSA-N
XLogP0.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.55
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'}

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Related Compounds

methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
2-cyclobutyl-2-hydroxyacetamide
CID 69459333
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-cyclohexyl-2-hydroxyacetyl chloride
CID 87847920
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
CID 103457527
1-cycloheptyl-1,4-dihydroxybutane-2,3-dione
CID 123320630
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxyethaneperoxoic acid?
The IUPAC name of 2-cyclopentyl-2-hydroxyethaneperoxoic acid (CID 90238839) is 2-cyclopentyl-2-hydroxyethaneperoxoic acid.
What is the SMILES notation for 2-cyclopentyl-2-hydroxyethaneperoxoic acid?
The canonical SMILES for 2-cyclopentyl-2-hydroxyethaneperoxoic acid is O=C(OO)C(O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxyethaneperoxoic acid?
The InChIKey is IDEPKFCZUFQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-6(7(9)11-10)5-3-1-2-4-5/h5-6,8,10H,1-4H2.
What are the key properties of 2-cyclopentyl-2-hydroxyethaneperoxoic acid?
2-cyclopentyl-2-hydroxyethaneperoxoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxyethaneperoxoic acid is sourced from PubChem (CID 90238839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).