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

C18H32O3 — CID 134387509

IUPAC3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione
SMILESCC(C)C(C)(C)C1C(=O)OC(=O)C1CC(C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3/c1-11(2)18(8,9)13-12(14(19)21-15(13)20)10-17(6,7)16(3,4)5/h11-13H,10H2,1-9H3
InChIKeyDEBGTWRYPXBQTL-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.45
Rot. Bonds4

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

3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione (PubChem CID 134387509) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione
PubChem CID134387509
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione
SMILESCC(C)C(C)(C)C1C(=O)OC(=O)C1CC(C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3/c1-11(2)18(8,9)13-12(14(19)21-15(13)20)10-17(6,7)16(3,4)5/h11-13H,10H2,1-9H3
InChIKeyDEBGTWRYPXBQTL-UHFFFAOYSA-N
XLogP4.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.45
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-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione with MolForge

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Related Compounds

3-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)oxolane-2,5-dione
CID 144564553
3-carbamoyl-5-[4-(2,2-dimethylpropyl)-2,5-dioxooxolan-3-yl]-2,5-dimethylhexanoic acid
CID 88545485
3-tert-butyl-4-(2-tert-butyl-4-methylhexyl)oxolane-2,5-dione
CID 144994306
3-tert-butyl-4-(2,3,3,4,6,6-hexamethylheptan-2-yl)oxolane-2,5-dione
CID 167011648
3-[2,3-dimethyl-4-(4-methyl-2,5-dioxooxolan-3-yl)butyl]-4-methyloxolane-2,5-dione
CID 145217294
3,4-bis(2-phenylpropyl)oxolane-2,5-dione
CID 21344826
3-(2,3-dimethylbutyl)-4-propan-2-yloxolane-2,5-dione
CID 147611414
3-methyl-4-(2-methylbutan-2-yl)oxolane-2,5-dione
CID 123156695
5,6-bis(2-methylpropyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 151356919
3,4-ditert-butyl-3,4-dihydrochromen-2-one
CID 131978924
3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione
CID 21351325
3,4-di(butan-2-yl)oxolane-2,5-dione
CID 126576326

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione?
The IUPAC name of 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione (CID 134387509) is 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione is CC(C)C(C)(C)C1C(=O)OC(=O)C1CC(C)(C)C(C)(C)C.
What is the InChIKey of 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione?
The InChIKey is DEBGTWRYPXBQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-11(2)18(8,9)13-12(14(19)21-15(13)20)10-17(6,7)16(3,4)5/h11-13H,10H2,1-9H3.
What are the key properties of 3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione?
3-(2,3-dimethylbutan-2-yl)-4-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 4.45, 4 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-(2,2,3,3-tetramethylbutyl)oxolane-2,5-dione is sourced from PubChem (CID 134387509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).