3-ethyl-3-methyloxolane-2,5-dione;methane

C8H14O3 — CID 157130864

IUPAC3-ethyl-3-methyloxolane-2,5-dione;methane
SMILESC.CCC1(C)CC(=O)OC1=O
InChIInChI=1S/C7H10O3.CH4/c1-3-7(2)4-5(8)10-6(7)9;/h3-4H2,1-2H3;1H4
InChIKeyAJBDSMNIPHARBX-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.51
Rot. Bonds1

About 3-ethyl-3-methyloxolane-2,5-dione;methane

3-ethyl-3-methyloxolane-2,5-dione;methane (PubChem CID 157130864) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-ethyl-3-methyloxolane-2,5-dione;methane.

Molecular Properties

Compound Name3-ethyl-3-methyloxolane-2,5-dione;methane
PubChem CID157130864
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-ethyl-3-methyloxolane-2,5-dione;methane
SMILESC.CCC1(C)CC(=O)OC1=O
InChIInChI=1S/C7H10O3.CH4/c1-3-7(2)4-5(8)10-6(7)9;/h3-4H2,1-2H3;1H4
InChIKeyAJBDSMNIPHARBX-UHFFFAOYSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-methyloxolane-2,5-dione;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
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
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
3-propyl-3-silyloxolane-2,5-dione
CID 157396768
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
3,5-diethyl-3,5-dimethyloxolan-2-one
CID 14640406
3,5,5-triethyl-3-methyloxolan-2-one
CID 123494299

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloxolane-2,5-dione;methane?
The IUPAC name of 3-ethyl-3-methyloxolane-2,5-dione;methane (CID 157130864) is 3-ethyl-3-methyloxolane-2,5-dione;methane.
What is the SMILES notation for 3-ethyl-3-methyloxolane-2,5-dione;methane?
The canonical SMILES for 3-ethyl-3-methyloxolane-2,5-dione;methane is C.CCC1(C)CC(=O)OC1=O.
What is the InChIKey of 3-ethyl-3-methyloxolane-2,5-dione;methane?
The InChIKey is AJBDSMNIPHARBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.CH4/c1-3-7(2)4-5(8)10-6(7)9;/h3-4H2,1-2H3;1H4.
What are the key properties of 3-ethyl-3-methyloxolane-2,5-dione;methane?
3-ethyl-3-methyloxolane-2,5-dione;methane has a molecular weight of 158.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyloxolane-2,5-dione;methane is sourced from PubChem (CID 157130864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).