2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde

C15H20O4 — CID 88863431

IUPAC2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde
SMILESO=CCC1(O)CCCC1COOCc1ccccc1
InChIInChI=1S/C15H20O4/c16-10-9-15(17)8-4-7-14(15)12-19-18-11-13-5-2-1-3-6-13/h1-3,5-6,10,14,17H,4,7-9,11-12H2
InChIKeyJFOMDAIZFIOYKT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.26
Rot. Bonds7

About 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde

2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde (PubChem CID 88863431) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde
PubChem CID88863431
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde
SMILESO=CCC1(O)CCCC1COOCc1ccccc1
InChIInChI=1S/C15H20O4/c16-10-9-15(17)8-4-7-14(15)12-19-18-11-13-5-2-1-3-6-13/h1-3,5-6,10,14,17H,4,7-9,11-12H2
InChIKeyJFOMDAIZFIOYKT-UHFFFAOYSA-N
XLogP2.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde?
The IUPAC name of 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde (CID 88863431) is 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde?
The canonical SMILES for 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde is O=CCC1(O)CCCC1COOCc1ccccc1.
What is the InChIKey of 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde?
The InChIKey is JFOMDAIZFIOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c16-10-9-15(17)8-4-7-14(15)12-19-18-11-13-5-2-1-3-6-13/h1-3,5-6,10,14,17H,4,7-9,11-12H2.
What are the key properties of 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde?
2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde has a molecular weight of 264.32 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde is sourced from PubChem (CID 88863431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).