[(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate

C12H18O3 — CID 122595954

IUPAC[(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C(=O)C(C)=C(C)C1(C)C
InChIInChI=1S/C12H18O3/c1-7-8(2)12(4,5)10(11(7)14)6-15-9(3)13/h10H,6H2,1-5H3/t10-/m1/s1
InChIKeyWVVKWDHLSRFLPY-SNVBAGLBSA-N
MW210.27 g/mol
LogP2.11
Rot. Bonds2

About [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate

[(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate (PubChem CID 122595954) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate
PubChem CID122595954
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C(=O)C(C)=C(C)C1(C)C
InChIInChI=1S/C12H18O3/c1-7-8(2)12(4,5)10(11(7)14)6-15-9(3)13/h10H,6H2,1-5H3/t10-/m1/s1
InChIKeyWVVKWDHLSRFLPY-SNVBAGLBSA-N
XLogP2.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate with MolForge

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

Launch Full Analysis

Related Compounds

CID 536296
CID 536296
CID 11182841
CID 11182841
CID 162705349
CID 162705349
CID 11052558
CID 11052558
CID 14015465
CID 14015465
CID 60154673
CID 60154673
CID 129878529
CID 129878529
CID 134964949
CID 134964949
CID 135017238
CID 135017238
CID 11241314
CID 11241314
CID 132966203
CID 132966203
CID 12564632
CID 12564632

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate?
The IUPAC name of [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate (CID 122595954) is [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate.
What is the SMILES notation for [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate?
The canonical SMILES for [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate is CC(=O)OC[C@@H]1C(=O)C(C)=C(C)C1(C)C.
What is the InChIKey of [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate?
The InChIKey is WVVKWDHLSRFLPY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18O3/c1-7-8(2)12(4,5)10(11(7)14)6-15-9(3)13/h10H,6H2,1-5H3/t10-/m1/s1.
What are the key properties of [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate?
[(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate has a molecular weight of 210.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl]methyl acetate is sourced from PubChem (CID 122595954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).