3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one

C13H24O2 — CID 114621793

IUPAC3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
SMILESCCC(C(C)=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O2/c1-7-10(9(2)14)11-8-12(3,4)15-13(11,5)6/h10-11H,7-8H2,1-6H3
InChIKeyXOPCKMLPABQWHI-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds3

About 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one

3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one (PubChem CID 114621793) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
PubChem CID114621793
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
SMILESCCC(C(C)=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O2/c1-7-10(9(2)14)11-8-12(3,4)15-13(11,5)6/h10-11H,7-8H2,1-6H3
InChIKeyXOPCKMLPABQWHI-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 105053043
3-(3-chlorobutan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114623946
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 114621457
2-methyl-2-piperidin-1-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622678
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622050
3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114624288
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one (CID 114621793) is 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one is CCC(C(C)=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one?
The InChIKey is XOPCKMLPABQWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-7-10(9(2)14)11-8-12(3,4)15-13(11,5)6/h10-11H,7-8H2,1-6H3.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one?
3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one is sourced from PubChem (CID 114621793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).