5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one

C11H16O3 — CID 11469644

IUPAC5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one
SMILESCC1(C)C(=O)OOC1(C1CC1)C1CC1
InChIInChI=1S/C11H16O3/c1-10(2)9(12)13-14-11(10,7-3-4-7)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyDRTZBFIJCJRSFV-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.06
Rot. Bonds2

About 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one

5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one (PubChem CID 11469644) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one.

Molecular Properties

Compound Name5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one
PubChem CID11469644
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one
SMILESCC1(C)C(=O)OOC1(C1CC1)C1CC1
InChIInChI=1S/C11H16O3/c1-10(2)9(12)13-14-11(10,7-3-4-7)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyDRTZBFIJCJRSFV-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-tetramethyldioxolan-3-one
CID 2755692
8,8-dimethyl-1a,2,3,4,4a,5-hexahydrooxireno[2,3-e]isochromen-7-one
CID 121222556
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814
5,5-dimethyltrioxane-4,6-dione
CID 57073887
5-cyclopropyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 102571206
2-cyclopropyl-2,5-dimethylimidazolidin-4-one
CID 130684670
4-cyclopropyl-4-methylimidazolidin-2-one
CID 105428121
(1S,5S)-1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
CID 98524070
6,6,7,7,8,8-hexamethyl-1,5-dihydrocyclopenta[d]oxepine-2,4-dione
CID 639042
(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
CID 124509752
4,4,5,5,6,6-hexamethylcyclohexane-1,2,3-trione
CID 140639927

Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one?
The IUPAC name of 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one (CID 11469644) is 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one.
What is the SMILES notation for 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one?
The canonical SMILES for 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one is CC1(C)C(=O)OOC1(C1CC1)C1CC1.
What is the InChIKey of 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one?
The InChIKey is DRTZBFIJCJRSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10(2)9(12)13-14-11(10,7-3-4-7)8-5-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one?
5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one has a molecular weight of 196.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one is sourced from PubChem (CID 11469644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).