3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium

C9H11O5Rf- — CID 58825971

IUPAC3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium
SMILESCCC1C(=O)OC(=O)C1C(C)O[C-]=O.[Rf]
InChIInChI=1S/C9H11O5.Rf/c1-3-6-7(5(2)13-4-10)9(12)14-8(6)11;/h5-7H,3H2,1-2H3;/q-1;
InChIKeyFDXCPMLDDNTFNP-UHFFFAOYSA-N
MW466.18 g/mol
LogP0.18
Rot. Bonds4

About 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium

3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium (PubChem CID 58825971) has the molecular formula C9H11O5Rf- and a molecular weight of 466.18 g/mol. Its IUPAC name is 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium.

Molecular Properties

Compound Name3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium
PubChem CID58825971
Molecular FormulaC9H11O5Rf-
Molecular Weight466.18 g/mol
Exact Mass466.18
IUPAC Name3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium
SMILESCCC1C(=O)OC(=O)C1C(C)O[C-]=O.[Rf]
InChIInChI=1S/C9H11O5.Rf/c1-3-6-7(5(2)13-4-10)9(12)14-8(6)11;/h5-7H,3H2,1-2H3;/q-1;
InChIKeyFDXCPMLDDNTFNP-UHFFFAOYSA-N
XLogP0.18
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diethyl 2,3-diacetylbutanedioate
CID 95399
(3S,4S)-4-acetyl-3-methyloxolan-2-one
CID 118708002
2(3H)-Furanone, dihydro-3-isopropyl-5-methyl-
CID 29717
2,3-Diacetylsuccinic anhydride
CID 4296140
(3R,4S)-4-acetyl-3-methyloxolan-2-one
CID 82418006
(2R,3R,4S)-2,4-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
CID 102021603
(2S,3S,4R)-2,4-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
CID 139586819
Diethyl 2,2-dimethyl-5-oxooxolane-3,4-dicarboxylate
CID 2942204
Ethyl 5,5-dimethyl-2-oxooxolane-3-carboxylate
CID 278358
Methyl 2,2-dimethyloxolane-3-carboxylate
CID 13780562
diethyl (3S,4R,5S)-2-oxo-5-(trifluoromethyl)oxolane-3,4-dicarboxylate
CID 178251174
2-Ethoxycarbonyl-4-pentanolide
CID 13172871

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium?
The IUPAC name of 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium (CID 58825971) is 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium.
What is the SMILES notation for 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium?
The canonical SMILES for 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium is CCC1C(=O)OC(=O)C1C(C)O[C-]=O.[Rf].
What is the InChIKey of 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium?
The InChIKey is FDXCPMLDDNTFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5.Rf/c1-3-6-7(5(2)13-4-10)9(12)14-8(6)11;/h5-7H,3H2,1-2H3;/q-1;.
What are the key properties of 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium?
3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium has a molecular weight of 466.18 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium is sourced from PubChem (CID 58825971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).