5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione

C16H24O4 — CID 11334997

IUPAC5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C16H24O4/c1-8(2)7-9-11(17)10(14(19)20-9)12(18)13-15(3,4)16(13,5)6/h8-10,13H,7H2,1-6H3
InChIKeyZGOREARTLBLKIS-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.39
Rot. Bonds4

About 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione

5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione (PubChem CID 11334997) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
PubChem CID11334997
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C16H24O4/c1-8(2)7-9-11(17)10(14(19)20-9)12(18)13-15(3,4)16(13,5)6/h8-10,13H,7H2,1-6H3
InChIKeyZGOREARTLBLKIS-UHFFFAOYSA-N
XLogP2.39
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione with MolForge

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Related Compounds

methyl (2S)-2-decyl-4,5-dioxooxolane-3-carboxylate
CID 44390946
(4S,5R,9S)-9-acetyl-4,6,6-trimethyl-1,8-dioxaspiro[4.5]decan-2-one
CID 100987513
3-(6-Ethoxycarbonylhexyl)tetrahydrofuran-2,4-dione
CID 11391207
Dihydro-5-(3-pentyl)-4,4-dimethyl-2,3-furanedione
CID 13420858
Dihydro-5-(2-pentyl)-4,4-dimethyl-2,3-furanedione
CID 13420859
Dihydro-5-(2-pentyl)-4-methyl-4-propyl-2,3-furanedione
CID 13420860
5-(Butan-2-yl)-4-ethyl-4-methyloxolane-2,3-dione
CID 13420863
dimethyl (2R,5S)-5-butyl-2-(2-methylpropyl)oxolane-3,3-dicarboxylate
CID 134834028
CID 178200058
CID 178200058
3-Hexanoyltetrahydrofuran-2,4-dione
CID 581529
1-Methyl-12-oxadispiro[2.1.65.23]tridecane-4,13-dione
CID 10704260
1-Methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
CID 10750868

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
The IUPAC name of 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione (CID 11334997) is 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione.
What is the SMILES notation for 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
The canonical SMILES for 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione is CC(C)CC1OC(=O)C(C(=O)C2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
The InChIKey is ZGOREARTLBLKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-8(2)7-9-11(17)10(14(19)20-9)12(18)13-15(3,4)16(13,5)6/h8-10,13H,7H2,1-6H3.
What are the key properties of 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione?
5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione has a molecular weight of 280.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxolane-2,4-dione is sourced from PubChem (CID 11334997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).