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

C14H26O2 — CID 115813931

IUPAC2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26O2/c1-9(2)10(3)12(15)11-8-13(4,5)16-14(11,6)7/h9-11H,8H2,1-7H3
InChIKeyALZQQXOHQUNHKL-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds3

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

2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (PubChem CID 115813931) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
PubChem CID115813931
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26O2/c1-9(2)10(3)12(15)11-8-13(4,5)16-14(11,6)7/h9-11H,8H2,1-7H3
InChIKeyALZQQXOHQUNHKL-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
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
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622575
(2-amino-1-methylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624726
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814054

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (CID 115813931) is 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is CC(C)C(C)C(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The InChIKey is ALZQQXOHQUNHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-9(2)10(3)12(15)11-8-13(4,5)16-14(11,6)7/h9-11H,8H2,1-7H3.
What are the key properties of 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is sourced from PubChem (CID 115813931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).