3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione

C13H18O6 — CID 158754537

IUPAC3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
SMILESCC1C(=O)OC(=O)C1C.CCC1(C)CC(=O)OC1=O
InChIInChI=1S/C7H10O3.C6H8O3/c1-3-7(2)4-5(8)10-6(7)9;1-3-4(2)6(8)9-5(3)7/h3-4H2,1-2H3;3-4H,1-2H3
InChIKeyINWYINMHIVCBBM-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.22
Rot. Bonds1

About 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione

3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione (PubChem CID 158754537) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
PubChem CID158754537
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
SMILESCC1C(=O)OC(=O)C1C.CCC1(C)CC(=O)OC1=O
InChIInChI=1S/C7H10O3.C6H8O3/c1-3-7(2)4-5(8)10-6(7)9;1-3-4(2)6(8)9-5(3)7/h3-4H2,1-2H3;3-4H,1-2H3
InChIKeyINWYINMHIVCBBM-UHFFFAOYSA-N
XLogP1.22
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione
CID 22944814
(4R)-4-ethyl-4-methyl-3H-chromen-2-one
CID 101434564
3-methyl-4-[(4-methyl-2,6-dioxooxan-4-yl)methyl]oxane-2,6-dione
CID 59877735
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;4-[4-[4-(2,6-dioxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;3-methyl-3-[(3-methyl-2,5-dioxooxolan-3-yl)methyl]oxolane-2,5-dione
CID 158006292
methane;3-methyl-4-[[2-[(3-methyl-2-oxooxolan-3-yl)methyl]-5-oxooxolan-2-yl]methyl]oxolane-2,5-dione
CID 157413366

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione?
The IUPAC name of 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione (CID 158754537) is 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione.
What is the SMILES notation for 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione?
The canonical SMILES for 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione is CC1C(=O)OC(=O)C1C.CCC1(C)CC(=O)OC1=O.
What is the InChIKey of 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione?
The InChIKey is INWYINMHIVCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C6H8O3/c1-3-7(2)4-5(8)10-6(7)9;1-3-4(2)6(8)9-5(3)7/h3-4H2,1-2H3;3-4H,1-2H3.
What are the key properties of 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione?
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione has a molecular weight of 270.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione is sourced from PubChem (CID 158754537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).