2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one

C15H28O3 — CID 114622560

IUPAC2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCCC(CC)(OC)C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28O3/c1-8-15(9-2,17-7)12(16)11-10-13(3,4)18-14(11,5)6/h11H,8-10H2,1-7H3
InChIKeyCYFZEUNAPDHGIZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.35
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one

2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (PubChem CID 114622560) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
PubChem CID114622560
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCCC(CC)(OC)C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28O3/c1-8-15(9-2,17-7)12(16)11-10-13(3,4)18-14(11,5)6/h11H,8-10H2,1-7H3
InChIKeyCYFZEUNAPDHGIZ-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622432
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114624606
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622521
2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624678
3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
CID 114621793

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (CID 114622560) is 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is CCC(CC)(OC)C(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The InChIKey is CYFZEUNAPDHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-8-15(9-2,17-7)12(16)11-10-13(3,4)18-14(11,5)6/h11H,8-10H2,1-7H3.
What are the key properties of 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one has a molecular weight of 256.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is sourced from PubChem (CID 114622560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).