[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate

C9H14O5 — CID 67582047

IUPAC[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
SMILESCC(=O)O[C@H]1CC(O)C[C@H]1OC(C)=O
InChIInChI=1S/C9H14O5/c1-5(10)13-8-3-7(12)4-9(8)14-6(2)11/h7-9,12H,3-4H2,1-2H3/t7?,8-,9+
InChIKeySIOLUXSHVSXSRI-CBLAIPOGSA-N
MW202.21 g/mol
LogP0.00
Rot. Bonds2

About [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate

[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate (PubChem CID 67582047) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
PubChem CID67582047
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
SMILESCC(=O)O[C@H]1CC(O)C[C@H]1OC(C)=O
InChIInChI=1S/C9H14O5/c1-5(10)13-8-3-7(12)4-9(8)14-6(2)11/h7-9,12H,3-4H2,1-2H3/t7?,8-,9+
InChIKeySIOLUXSHVSXSRI-CBLAIPOGSA-N
XLogP0.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate?
The IUPAC name of [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate (CID 67582047) is [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate.
What is the SMILES notation for [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate?
The canonical SMILES for [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate is CC(=O)O[C@H]1CC(O)C[C@H]1OC(C)=O.
What is the InChIKey of [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate?
The InChIKey is SIOLUXSHVSXSRI-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H14O5/c1-5(10)13-8-3-7(12)4-9(8)14-6(2)11/h7-9,12H,3-4H2,1-2H3/t7?,8-,9+.
What are the key properties of [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate?
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate has a molecular weight of 202.21 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate is sourced from PubChem (CID 67582047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).