3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione

C17H24O6 — CID 20746133

IUPAC3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione
SMILESCCC1C(=O)OC(=O)C1CC(C)CC1C(=O)OC(=O)C1C(C)C
InChIInChI=1S/C17H24O6/c1-5-10-11(15(19)22-14(10)18)6-9(4)7-12-13(8(2)3)17(21)23-16(12)20/h8-13H,5-7H2,1-4H3
InChIKeyGSEVTKXKCLOMGP-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.10
Rot. Bonds6

About 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione

3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione (PubChem CID 20746133) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione
PubChem CID20746133
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione
SMILESCCC1C(=O)OC(=O)C1CC(C)CC1C(=O)OC(=O)C1C(C)C
InChIInChI=1S/C17H24O6/c1-5-10-11(15(19)22-14(10)18)6-9(4)7-12-13(8(2)3)17(21)23-16(12)20/h8-13H,5-7H2,1-4H3
InChIKeyGSEVTKXKCLOMGP-UHFFFAOYSA-N
XLogP2.10
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione with MolForge

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Related Compounds

Dodecylsuccinic anhydride
CID 98107
3-Decyldihydro-2,5-furandione
CID 86743
2,5-Furandione, 3-hexadecyldihydro-
CID 77868
2,5-Furandione, dihydro-3-octyl-
CID 77869
Dihydro-3-tetradecylfuran-2,5-dione
CID 98128
2,5-Furandione, dihydro-3-octadecyl-
CID 96562
4,8,12,16-Tetramethylheptadecan-4-olide
CID 567149
2,5-Furandione, 3-hexyldihydro-
CID 12656169
(5R)-5-methyl-5-[(4R,8R)-4,8,12-trimethyltridecyl]oxolan-2-one
CID 101346170
2,5-Furandione, dihydro-3-nonyl-
CID 34369
4,8,12-Trimethyltridecan-4-olide
CID 567139
3-Icosylsuccinic anhydride
CID 98655

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione?
The IUPAC name of 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione (CID 20746133) is 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione.
What is the SMILES notation for 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione?
The canonical SMILES for 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione is CCC1C(=O)OC(=O)C1CC(C)CC1C(=O)OC(=O)C1C(C)C.
What is the InChIKey of 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione?
The InChIKey is GSEVTKXKCLOMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-5-10-11(15(19)22-14(10)18)6-9(4)7-12-13(8(2)3)17(21)23-16(12)20/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione?
3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione has a molecular weight of 324.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dioxo-4-propan-2-yloxolan-3-yl)-2-methylpropyl]-4-ethyloxolane-2,5-dione is sourced from PubChem (CID 20746133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).