[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate

C12H18O4 — CID 12846337

IUPAC[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
SMILESCC(=O)O[C@H]1C=C[C@H](OC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H18O4/c1-8(13)15-9-5-6-10(7-9)16-11(14)12(2,3)4/h5-6,9-10H,7H2,1-4H3/t9-,10-/m0/s1
InChIKeyRKGKLFUULVIDRP-UWVGGRQHSA-N
MW226.27 g/mol
LogP1.84
Rot. Bonds2

About [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate

[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate (PubChem CID 12846337) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
PubChem CID12846337
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
SMILESCC(=O)O[C@H]1C=C[C@H](OC(=O)C(C)(C)C)C1
InChIInChI=1S/C12H18O4/c1-8(13)15-9-5-6-10(7-9)16-11(14)12(2,3)4/h5-6,9-10H,7H2,1-4H3/t9-,10-/m0/s1
InChIKeyRKGKLFUULVIDRP-UWVGGRQHSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate (CID 12846337) is [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate is CC(=O)O[C@H]1C=C[C@H](OC(=O)C(C)(C)C)C1.
What is the InChIKey of [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate?
The InChIKey is RKGKLFUULVIDRP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18O4/c1-8(13)15-9-5-6-10(7-9)16-11(14)12(2,3)4/h5-6,9-10H,7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate?
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate has a molecular weight of 226.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 12846337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).