[(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate

C19H36O5Si — CID 10619311

IUPAC[(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C(C)C)[C@H]2OC(C)(C)OC12
InChIInChI=1S/C19H36O5Si/c1-12(2)18(4,5)25(8,9)21-11-14-10-15(22-13(3)20)17-16(14)23-19(6,7)24-17/h12,14-17H,10-11H2,1-9H3/t14-,15-,16-,17?/m1/s1
InChIKeyIPUQLKXFSDXULG-HJNZIYBASA-N
MW372.58 g/mol
LogP4.12
Rot. Bonds6

About [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate

[(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate (PubChem CID 10619311) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate.

Molecular Properties

Compound Name[(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate
PubChem CID10619311
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C(C)C)[C@H]2OC(C)(C)OC12
InChIInChI=1S/C19H36O5Si/c1-12(2)18(4,5)25(8,9)21-11-14-10-15(22-13(3)20)17-16(14)23-19(6,7)24-17/h12,14-17H,10-11H2,1-9H3/t14-,15-,16-,17?/m1/s1
InChIKeyIPUQLKXFSDXULG-HJNZIYBASA-N
XLogP4.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate?
The IUPAC name of [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate (CID 10619311) is [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate.
What is the SMILES notation for [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate?
The canonical SMILES for [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate is CC(=O)O[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C(C)C)[C@H]2OC(C)(C)OC12.
What is the InChIKey of [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate?
The InChIKey is IPUQLKXFSDXULG-HJNZIYBASA-N. The full InChI is InChI=1S/C19H36O5Si/c1-12(2)18(4,5)25(8,9)21-11-14-10-15(22-13(3)20)17-16(14)23-19(6,7)24-17/h12,14-17H,10-11H2,1-9H3/t14-,15-,16-,17?/m1/s1.
What are the key properties of [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate?
[(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate has a molecular weight of 372.58 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R,6aR)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate is sourced from PubChem (CID 10619311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).