3-cyclopropyl-3-methyloxolane-2,5-dione

C8H10O3 — CID 43134485

IUPAC3-cyclopropyl-3-methyloxolane-2,5-dione
SMILESCC1(C2CC2)CC(=O)OC1=O
InChIInChI=1S/C8H10O3/c1-8(5-2-3-5)4-6(9)11-7(8)10/h5H,2-4H2,1H3
InChIKeyUYCRXXYCAJENNO-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.88
Rot. Bonds1

About 3-cyclopropyl-3-methyloxolane-2,5-dione

3-cyclopropyl-3-methyloxolane-2,5-dione (PubChem CID 43134485) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyloxolane-2,5-dione
PubChem CID43134485
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-cyclopropyl-3-methyloxolane-2,5-dione
SMILESCC1(C2CC2)CC(=O)OC1=O
InChIInChI=1S/C8H10O3/c1-8(5-2-3-5)4-6(9)11-7(8)10/h5H,2-4H2,1H3
InChIKeyUYCRXXYCAJENNO-UHFFFAOYSA-N
XLogP0.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropane;spiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 90930023
6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
CID 43134859
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3-cyclohexyl-3-hydroxyoxolane-2,5-dione
CID 156904960
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
7,8-dimethyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
CID 81468530
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537
(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
CID 131041836
3-(2,3-dimethylbutyl)-3-methyloxolane-2,5-dione
CID 22944814
3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
CID 43134872

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyloxolane-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyloxolane-2,5-dione (CID 43134485) is 3-cyclopropyl-3-methyloxolane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyloxolane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyloxolane-2,5-dione is CC1(C2CC2)CC(=O)OC1=O.
What is the InChIKey of 3-cyclopropyl-3-methyloxolane-2,5-dione?
The InChIKey is UYCRXXYCAJENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(5-2-3-5)4-6(9)11-7(8)10/h5H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyloxolane-2,5-dione?
3-cyclopropyl-3-methyloxolane-2,5-dione has a molecular weight of 154.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyloxolane-2,5-dione is sourced from PubChem (CID 43134485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).