3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione

C17H30O3 — CID 144564553

IUPAC3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione
SMILESCC(C)C(C)(C)C1C(=O)OC(=O)C1C(C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3/c1-10(2)16(6,7)11-12(14(19)20-13(11)18)17(8,9)15(3,4)5/h10-12H,1-9H3
InChIKeyLQWMRSIVOKLYNZ-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.06
Rot. Bonds3

About 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione

3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione (PubChem CID 144564553) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione
PubChem CID144564553
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione
SMILESCC(C)C(C)(C)C1C(=O)OC(=O)C1C(C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3/c1-10(2)16(6,7)11-12(14(19)20-13(11)18)17(8,9)15(3,4)5/h10-12H,1-9H3
InChIKeyLQWMRSIVOKLYNZ-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione with MolForge

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Related Compounds

3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione
CID 134387509
3-tert-butyl-4-(2,3,3,4,6,6-hexamethylheptan-2-yl)oxolane-2,5-dione
CID 167011648
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
3-tert-butyl-4-(1-methoxy-2,2-dimethylpropyl)oxolane-2,5-dione
CID 126554855
3-methyl-4-(2-methylbutan-2-yl)oxolane-2,5-dione
CID 123156695
3-(1,1,2,2,3,3-hexafluorobutyl)oxetane-2,4-dione
CID 172722112
(3R)-2-tert-butyl-3-propan-2-ylcyclobutan-1-one
CID 89189878
3-tert-butyl-4-(2-tert-butyl-4-methylhexyl)oxolane-2,5-dione
CID 144994306
(5S)-3,5-ditert-butyloxane-2,6-dione
CID 89331344
5,6-bis(2-methylpropyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 151356919
3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
CID 121369308
3,4-bis(phosphanyl)oxolane-2,5-dione
CID 88635886

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione?
The IUPAC name of 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione (CID 144564553) is 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione is CC(C)C(C)(C)C1C(=O)OC(=O)C1C(C)(C)C(C)(C)C.
What is the InChIKey of 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione?
The InChIKey is LQWMRSIVOKLYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-10(2)16(6,7)11-12(14(19)20-13(11)18)17(8,9)15(3,4)5/h10-12H,1-9H3.
What are the key properties of 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione?
3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione has a molecular weight of 282.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione is sourced from PubChem (CID 144564553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).