[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate

C13H20O8 — CID 11335702

IUPAC[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
SMILESCOC1OC[C@H]([C@H]2O[C@H](OC(C)=O)[C@H]3OC(C)(C)O[C@H]32)O1
InChIInChI=1S/C13H20O8/c1-6(14)17-11-10-9(20-13(2,3)21-10)8(19-11)7-5-16-12(15-4)18-7/h7-12H,5H2,1-4H3/t7-,8-,9+,10+,11+,12?/m1/s1
InChIKeyLPZOLPCFCJVIAI-YELRLYKWSA-N
MW304.30 g/mol
LogP0.14
Rot. Bonds3

About [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate

[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate (PubChem CID 11335702) has the molecular formula C13H20O8 and a molecular weight of 304.30 g/mol. Its IUPAC name is [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate.

Molecular Properties

Compound Name[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
PubChem CID11335702
Molecular FormulaC13H20O8
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
SMILESCOC1OC[C@H]([C@H]2O[C@H](OC(C)=O)[C@H]3OC(C)(C)O[C@H]32)O1
InChIInChI=1S/C13H20O8/c1-6(14)17-11-10-9(20-13(2,3)21-10)8(19-11)7-5-16-12(15-4)18-7/h7-12H,5H2,1-4H3/t7-,8-,9+,10+,11+,12?/m1/s1
InChIKeyLPZOLPCFCJVIAI-YELRLYKWSA-N
XLogP0.14
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate with MolForge

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Related Compounds

[(4S,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
CID 153312743
[(6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
CID 70880346
[(3aS,4R,6R,6aS)-2,2-dimethyl-6-[(4R)-2-sulfanylidene-1,3-oxazolidin-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
CID 11278087
[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] acetate
CID 44573194
(1R,2S,6R,7R,9R)-7-methoxy-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 14077905
[(1S,2R,6R,9S,10S)-4,4,12,12-tetramethyl-3,5,7,11,13-pentaoxatricyclo[8.3.0.02,6]tridecan-9-yl] acetate
CID 101127716
[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] N-ethylcarbamate
CID 101370528
[(4S,5S,8R,8aR)-8-hydroxy-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] acetate
CID 58510403
[(3aS,6R,6aS)-4-acetyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 131705481
[(4aS,7R,8S,8aR)-8-methoxy-2,2-dimethyl-6-sulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 87390652
[(3aS,4S,6S,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] benzoate
CID 97302276
[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] benzoate
CID 570543

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate?
The IUPAC name of [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate (CID 11335702) is [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate.
What is the SMILES notation for [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate?
The canonical SMILES for [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate is COC1OC[C@H]([C@H]2O[C@H](OC(C)=O)[C@H]3OC(C)(C)O[C@H]32)O1.
What is the InChIKey of [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate?
The InChIKey is LPZOLPCFCJVIAI-YELRLYKWSA-N. The full InChI is InChI=1S/C13H20O8/c1-6(14)17-11-10-9(20-13(2,3)21-10)8(19-11)7-5-16-12(15-4)18-7/h7-12H,5H2,1-4H3/t7-,8-,9+,10+,11+,12?/m1/s1.
What are the key properties of [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate?
[(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate has a molecular weight of 304.30 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6R,6aS)-6-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate is sourced from PubChem (CID 11335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).