[(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate

C15H24O4 — CID 67428040

IUPAC[(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate
SMILESCCCCCC/C=C(\O)[C@@H]1CC(=O)C[C@H]1OC(C)=O
InChIInChI=1S/C15H24O4/c1-3-4-5-6-7-8-14(18)13-9-12(17)10-15(13)19-11(2)16/h8,13,15,18H,3-7,9-10H2,1-2H3/b14-8-/t13-,15+/m0/s1
InChIKeyPQGCXAJQTUFKDI-DDWFUKRFSA-N
MW268.35 g/mol
LogP3.31
Rot. Bonds7

About [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate

[(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate (PubChem CID 67428040) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate
PubChem CID67428040
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate
SMILESCCCCCC/C=C(\O)[C@@H]1CC(=O)C[C@H]1OC(C)=O
InChIInChI=1S/C15H24O4/c1-3-4-5-6-7-8-14(18)13-9-12(17)10-15(13)19-11(2)16/h8,13,15,18H,3-7,9-10H2,1-2H3/b14-8-/t13-,15+/m0/s1
InChIKeyPQGCXAJQTUFKDI-DDWFUKRFSA-N
XLogP3.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate?
The IUPAC name of [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate (CID 67428040) is [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate.
What is the SMILES notation for [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate?
The canonical SMILES for [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate is CCCCCC/C=C(\O)[C@@H]1CC(=O)C[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate?
The InChIKey is PQGCXAJQTUFKDI-DDWFUKRFSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-4-5-6-7-8-14(18)13-9-12(17)10-15(13)19-11(2)16/h8,13,15,18H,3-7,9-10H2,1-2H3/b14-8-/t13-,15+/m0/s1.
What are the key properties of [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate?
[(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate has a molecular weight of 268.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(Z)-1-hydroxyoct-1-enyl]-4-oxocyclopentyl] acetate is sourced from PubChem (CID 67428040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).