3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione

C13H22O5 — CID 54312642

IUPAC3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione
SMILESCCC1C(=O)OC(=O)C1CC(C)COCCOC
InChIInChI=1S/C13H22O5/c1-4-10-11(13(15)18-12(10)14)7-9(2)8-17-6-5-16-3/h9-11H,4-8H2,1-3H3
InChIKeySLZFRYHNFHJUMH-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.40
Rot. Bonds8

About 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione

3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione (PubChem CID 54312642) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione
PubChem CID54312642
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione
SMILESCCC1C(=O)OC(=O)C1CC(C)COCCOC
InChIInChI=1S/C13H22O5/c1-4-10-11(13(15)18-12(10)14)7-9(2)8-17-6-5-16-3/h9-11H,4-8H2,1-3H3
InChIKeySLZFRYHNFHJUMH-UHFFFAOYSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-Dioxooxolan-3-yl)propyl butanoate
CID 14871738
2-Oxopropyl-4-isobutoxymethylbutanolide
CID 13811446
2-Oxopropyl-4-isoamyloxymethylbutanolide
CID 13811447
3-(2-Oxopropyl)-5-(propoxymethyl)oxolan-2-one
CID 13811448
4-Oxadodecylsuccinic anhydride
CID 23267318
4-Oxadecylsuccinic anhydride
CID 23268468
1-O-ethyl 5-O-methyl 2-(oxolan-3-yl)pentanedioate
CID 25172326
[(2Rs,4r)-tetrahydro-4-isopropyl-5-oxofuran-2-yl]methyl acetate
CID 45140870
3-(5-Amyloxymethyl-2-oxotetrahydro-3-furyl)-2-methylpropanoic acid
CID 129742375
3-{2-Oxo-5-[(propan-2-yloxy)methyl]oxolan-3-yl}-2-methylpropanal
CID 129758632
ethyl 4-[(3S,4R)-4-(4-ethoxy-4-oxobutyl)-2,5-dioxooxolan-3-yl]butanoate
CID 135079459
3-[3-(2-Methoxyethoxy)-2-methylpropyl]-4-methyloxolane-2,5-dione
CID 20641917

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione?
The IUPAC name of 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione (CID 54312642) is 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione.
What is the SMILES notation for 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione?
The canonical SMILES for 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione is CCC1C(=O)OC(=O)C1CC(C)COCCOC.
What is the InChIKey of 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione?
The InChIKey is SLZFRYHNFHJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-4-10-11(13(15)18-12(10)14)7-9(2)8-17-6-5-16-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione?
3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione has a molecular weight of 258.31 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(2-methoxyethoxy)-2-methylpropyl]oxolane-2,5-dione is sourced from PubChem (CID 54312642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).