[(1S)-3-oxocyclopentyl] formate

C6H8O3 — CID 58400346

IUPAC[(1S)-3-oxocyclopentyl] formate
SMILESO=CO[C@H]1CCC(=O)C1
InChIInChI=1S/C6H8O3/c7-4-9-6-2-1-5(8)3-6/h4,6H,1-3H2/t6-/m0/s1
InChIKeyLGMQMFLVZDMGEQ-LURJTMIESA-N
MW128.13 g/mol
LogP0.28
Rot. Bonds2

About [(1S)-3-oxocyclopentyl] formate

[(1S)-3-oxocyclopentyl] formate (PubChem CID 58400346) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is [(1S)-3-oxocyclopentyl] formate.

Molecular Properties

Compound Name[(1S)-3-oxocyclopentyl] formate
PubChem CID58400346
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name[(1S)-3-oxocyclopentyl] formate
SMILESO=CO[C@H]1CCC(=O)C1
InChIInChI=1S/C6H8O3/c7-4-9-6-2-1-5(8)3-6/h4,6H,1-3H2/t6-/m0/s1
InChIKeyLGMQMFLVZDMGEQ-LURJTMIESA-N
XLogP0.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-oxocyclopentyl] formate?
The IUPAC name of [(1S)-3-oxocyclopentyl] formate (CID 58400346) is [(1S)-3-oxocyclopentyl] formate.
What is the SMILES notation for [(1S)-3-oxocyclopentyl] formate?
The canonical SMILES for [(1S)-3-oxocyclopentyl] formate is O=CO[C@H]1CCC(=O)C1.
What is the InChIKey of [(1S)-3-oxocyclopentyl] formate?
The InChIKey is LGMQMFLVZDMGEQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H8O3/c7-4-9-6-2-1-5(8)3-6/h4,6H,1-3H2/t6-/m0/s1.
What are the key properties of [(1S)-3-oxocyclopentyl] formate?
[(1S)-3-oxocyclopentyl] formate has a molecular weight of 128.13 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-oxocyclopentyl] formate is sourced from PubChem (CID 58400346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).