[(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate

C9H12O4 — CID 14566536

IUPAC[(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate
SMILESCO[C@]1(C)C=CC(=O)[C@@H]1OC(C)=O
InChIInChI=1S/C9H12O4/c1-6(10)13-8-7(11)4-5-9(8,2)12-3/h4-5,8H,1-3H3/t8-,9+/m0/s1
InChIKeyJQGAYIRDBXDVPV-DTWKUNHWSA-N
MW184.19 g/mol
LogP0.46
Rot. Bonds2

About [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate

[(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate (PubChem CID 14566536) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate
PubChem CID14566536
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name[(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate
SMILESCO[C@]1(C)C=CC(=O)[C@@H]1OC(C)=O
InChIInChI=1S/C9H12O4/c1-6(10)13-8-7(11)4-5-9(8,2)12-3/h4-5,8H,1-3H3/t8-,9+/m0/s1
InChIKeyJQGAYIRDBXDVPV-DTWKUNHWSA-N
XLogP0.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]propanoate
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methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
CID 102425346
(4-Oxocyclopent-2-en-1-yl) 2-oxopropanoate
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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate?
The IUPAC name of [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate (CID 14566536) is [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate.
What is the SMILES notation for [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate?
The canonical SMILES for [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate is CO[C@]1(C)C=CC(=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate?
The InChIKey is JQGAYIRDBXDVPV-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H12O4/c1-6(10)13-8-7(11)4-5-9(8,2)12-3/h4-5,8H,1-3H3/t8-,9+/m0/s1.
What are the key properties of [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate?
[(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate has a molecular weight of 184.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-yl] acetate is sourced from PubChem (CID 14566536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).