3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione

C11H18O3 — CID 22944814

IUPAC3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione
SMILESCC(C)C(C)CC1(C)CC(=O)OC1=O
InChIInChI=1S/C11H18O3/c1-7(2)8(3)5-11(4)6-9(12)14-10(11)13/h7-8H,5-6H2,1-4H3
InChIKeyADFKJYFYONKJOS-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.15
Rot. Bonds3

About 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione

3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione (PubChem CID 22944814) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione
PubChem CID22944814
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione
SMILESCC(C)C(C)CC1(C)CC(=O)OC1=O
InChIInChI=1S/C11H18O3/c1-7(2)8(3)5-11(4)6-9(12)14-10(11)13/h7-8H,5-6H2,1-4H3
InChIKeyADFKJYFYONKJOS-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3-methyl-3-propyloxolane-2,5-dione
CID 43134896
3-(methoxymethyl)-3-methyloxolane-2,5-dione
CID 62535448
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
3-propyl-3-silyloxolane-2,5-dione
CID 157396768
3-methyl-3-(4-propan-2-yloxyphenyl)oxolane-2,5-dione
CID 43247298
4-methyl-4-[3-[methyl(propan-2-yl)amino]propyl]oxetan-2-one
CID 177014987
2-methylpropane;spiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 90930023
(4R)-4-ethyl-4-methyl-3H-chromen-2-one
CID 101434564

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione?
The IUPAC name of 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione (CID 22944814) is 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione is CC(C)C(C)CC1(C)CC(=O)OC1=O.
What is the InChIKey of 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione?
The InChIKey is ADFKJYFYONKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)8(3)5-11(4)6-9(12)14-10(11)13/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione?
3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione has a molecular weight of 198.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione is sourced from PubChem (CID 22944814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).