2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one

C13H22O2 — CID 114621794

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
SMILESCC1(C)CC(C2CCCC2=O)C(C)(C)O1
InChIInChI=1S/C13H22O2/c1-12(2)8-10(13(3,4)15-12)9-6-5-7-11(9)14/h9-10H,5-8H2,1-4H3
InChIKeyGGAVHAVJEPVMGU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds1

About 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one

2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one (PubChem CID 114621794) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
PubChem CID114621794
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
SMILESCC1(C)CC(C2CCCC2=O)C(C)(C)O1
InChIInChI=1S/C13H22O2/c1-12(2)8-10(13(3,4)15-12)9-6-5-7-11(9)14/h9-10H,5-8H2,1-4H3
InChIKeyGGAVHAVJEPVMGU-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one
CID 114621804
10,10-dimethylbicyclo[7.2.0]undecan-2-one
CID 91392358
3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane
CID 114623939
(3aS,7aS)-1-methyl-1-(2-methylcyclopentyl)-3,3a,5,6,7,7a-hexahydro-2H-inden-4-one
CID 10847318
2-(2,2,5,5-tetramethyloxolan-3-yl)azepane
CID 114624050
(3aS,6aR)-3,3-dimethyl-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-one
CID 71402225
(1R,6S)-7,7-dimethylbicyclo[4.1.0]heptan-2-one
CID 100979863
(2S)-2-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 23309661
4-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781636
3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
CID 114624248
(1R)-1-methyltricyclo[6.3.0.03,10]undecan-4-one
CID 67963159
3,3-dimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-one
CID 141126152

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one (CID 114621794) is 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one is CC1(C)CC(C2CCCC2=O)C(C)(C)O1.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one?
The InChIKey is GGAVHAVJEPVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-12(2)8-10(13(3,4)15-12)9-6-5-7-11(9)14/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one?
2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one is sourced from PubChem (CID 114621794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).