5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one

C13H20O5 — CID 138977296

IUPAC5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
SMILESCC1(C)CC(C2OC3OC(C)(C)OC3C2=O)CO1
InChIInChI=1S/C13H20O5/c1-12(2)5-7(6-15-12)9-8(14)10-11(16-9)18-13(3,4)17-10/h7,9-11H,5-6H2,1-4H3
InChIKeyLBLYRBSSAQCTJM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.25
Rot. Bonds1

About 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one

5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one (PubChem CID 138977296) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one.

Molecular Properties

Compound Name5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
PubChem CID138977296
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
SMILESCC1(C)CC(C2OC3OC(C)(C)OC3C2=O)CO1
InChIInChI=1S/C13H20O5/c1-12(2)5-7(6-15-12)9-8(14)10-11(16-9)18-13(3,4)17-10/h7,9-11H,5-6H2,1-4H3
InChIKeyLBLYRBSSAQCTJM-UHFFFAOYSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one with MolForge

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Related Compounds

Neglectine A
CID 146683296
ethyl (1R,2R,6R,8S,10R)-10-(2-ethoxy-2-oxoethyl)-4,4-dimethyl-9-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
CID 11783291
1-[(2R,3R,5R)-5-[(3aR,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methyloxolan-3-yl]ethanone
CID 13831275
ethyl (2S,3R,3aR,5S,6R,6aR)-2,3,6-triacetyloxy-5-(2-ethoxy-2-oxoethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylate
CID 101478847
ethyl (1S,2R,6R,8R,10S)-10-(2-ethoxy-2-oxoethyl)-4,4-dimethyl-9-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10-carboxylate
CID 134830710
(1R,2R,6R,8S)-10-(hydroxymethyl)-4,4-dimethyl-3,5,7,14-tetraoxatricyclo[6.6.0.02,6]tetradecan-9-one
CID 134863978
ethyl (1'R,3'R,3aS,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,3'-trimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-carboxylate
CID 134930824
(3aR,5R,6aS)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 135079188
2,3:5,6-Di-O-isopropylidene-3,5-di-C-methyl-L-mannono-1,4-lactone
CID 139072052
Fwxqknndxzqaft-rhyqmdgzsa-
CID 21573079
2-methyl-1-[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-one
CID 14486822
1-[2-Methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone
CID 58219228

Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The IUPAC name of 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one (CID 138977296) is 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one.
What is the SMILES notation for 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The canonical SMILES for 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one is CC1(C)CC(C2OC3OC(C)(C)OC3C2=O)CO1.
What is the InChIKey of 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The InChIKey is LBLYRBSSAQCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-12(2)5-7(6-15-12)9-8(14)10-11(16-9)18-13(3,4)17-10/h7,9-11H,5-6H2,1-4H3.
What are the key properties of 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one has a molecular weight of 256.30 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethyloxolan-3-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one is sourced from PubChem (CID 138977296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).