4,4,5,5-tetramethyldioxolan-3-one

C7H12O3 — CID 2755692

IUPAC4,4,5,5-tetramethyldioxolan-3-one
SMILESCC1(C)OOC(=O)C1(C)C
InChIInChI=1S/C7H12O3/c1-6(2)5(8)9-10-7(6,3)4/h1-4H3
InChIKeyMXSVQRIJFXOUCK-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.28
Rot. Bonds

About 4,4,5,5-tetramethyldioxolan-3-one

4,4,5,5-tetramethyldioxolan-3-one (PubChem CID 2755692) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyldioxolan-3-one.

Molecular Properties

Compound Name4,4,5,5-tetramethyldioxolan-3-one
PubChem CID2755692
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4,4,5,5-tetramethyldioxolan-3-one
SMILESCC1(C)OOC(=O)C1(C)C
InChIInChI=1S/C7H12O3/c1-6(2)5(8)9-10-7(6,3)4/h1-4H3
InChIKeyMXSVQRIJFXOUCK-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.28
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

5,5-dicyclopropyl-4,4-dimethyldioxolan-3-one
CID 11469644
5,5-dimethyltrioxane-4,6-dione
CID 57073887
2,2,4,4,5,5-hexamethyloxolan-3-one
CID 130031129
3,3,4,4,5,5-hexamethylcyclopentane-1,2-dione
CID 14148814
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
4-chloro-4-hydroxydioxetan-3-one
CID 102161112
4,4,5,5,6,6-hexamethylcyclohexane-1,2,3-trione
CID 140639927
4,4,5,5-tetramethyloxolan-2-one
CID 547832
3-methoxy-3,4,4-trimethyloxetan-2-one
CID 12611183
(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
CID 5325909
3,4,5,5,6,6-hexamethylpyran-2-one
CID 58307846
6,6,7,7,8,8-hexamethyl-1,5-dihydrocyclopenta[d]oxepine-2,4-dione
CID 639042

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyldioxolan-3-one?
The IUPAC name of 4,4,5,5-tetramethyldioxolan-3-one (CID 2755692) is 4,4,5,5-tetramethyldioxolan-3-one.
What is the SMILES notation for 4,4,5,5-tetramethyldioxolan-3-one?
The canonical SMILES for 4,4,5,5-tetramethyldioxolan-3-one is CC1(C)OOC(=O)C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyldioxolan-3-one?
The InChIKey is MXSVQRIJFXOUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(2)5(8)9-10-7(6,3)4/h1-4H3.
What are the key properties of 4,4,5,5-tetramethyldioxolan-3-one?
4,4,5,5-tetramethyldioxolan-3-one has a molecular weight of 144.17 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyldioxolan-3-one is sourced from PubChem (CID 2755692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).