[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate

C17H32O5Si — CID 11450787

IUPAC[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C17H32O5Si/c1-11(18)19-10-12-9-13(22-23(7,8)16(2,3)4)15-14(12)20-17(5,6)21-15/h12-15H,9-10H2,1-8H3/t12-,13+,14-,15+/m1/s1
InChIKeyWWTCIVXGXIERLY-BARDWOONSA-N
MW344.52 g/mol
LogP3.48
Rot. Bonds4

About [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate

[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate (PubChem CID 11450787) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate.

Molecular Properties

Compound Name[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate
PubChem CID11450787
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C17H32O5Si/c1-11(18)19-10-12-9-13(22-23(7,8)16(2,3)4)15-14(12)20-17(5,6)21-15/h12-15H,9-10H2,1-8H3/t12-,13+,14-,15+/m1/s1
InChIKeyWWTCIVXGXIERLY-BARDWOONSA-N
XLogP3.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate with MolForge

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Related Compounds

[(3aS,4R,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 134841316
[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 134841319
[(8S,9S)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate
CID 70256490
[(3aS,6R,6aR)-4-acetyloxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate
CID 70914380
[(3aR,6S,6aS)-4-acetyloxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate
CID 70914382
(+)-tert-butyl(((1aR,1bR,4aR,5S,5aR)-3,3-dimethyltetrahydro-1aH-oxireno[2',3':3,4]-cyclopenta[1,2-d][1,3]dioxol-5-yl)methoxy)dimethylsilane
CID 86693879
[(3S,4R,5S)-3-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4-methyloxolan-2-yl]methyl acetate
CID 89457901
tert-butyl-[[(1S,2R,4R,5S)-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-5-yl]methoxy]-dimethylsilane
CID 89771366
[(8R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.4]nonan-9-yl]methyl acetate
CID 141583122
ethane;ethyl 2-[[(3aR,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate
CID 144456873
[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
CID 155643131
2-[[(3aR,4S,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 173636645

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate?
The IUPAC name of [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate (CID 11450787) is [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate.
What is the SMILES notation for [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate?
The canonical SMILES for [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate is CC(=O)OC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate?
The InChIKey is WWTCIVXGXIERLY-BARDWOONSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-11(18)19-10-12-9-13(22-23(7,8)16(2,3)4)15-14(12)20-17(5,6)21-15/h12-15H,9-10H2,1-8H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate?
[(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate has a molecular weight of 344.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl acetate is sourced from PubChem (CID 11450787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).