[(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate

C16H30O6Si — CID 11725278

IUPAC[(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate
SMILES[2H][C@]1(CO[Si](C)(C)C(C)(C)C)OC(OC(C)=O)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H30O6Si/c1-10(17)19-14-13-12(21-16(5,6)22-13)11(20-14)9-18-23(7,8)15(2,3)4/h11-14H,9H2,1-8H3/t11-,12-,13-,14?/m1/s1/i11D
InChIKeyMFUROHCCMWEUBA-FFTQANNISA-N
MW347.50 g/mol
LogP2.82
Rot. Bonds4

About [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate

[(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate (PubChem CID 11725278) has the molecular formula C16H30O6Si and a molecular weight of 347.50 g/mol. Its IUPAC name is [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate.

Molecular Properties

Compound Name[(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate
PubChem CID11725278
Molecular FormulaC16H30O6Si
Molecular Weight347.50 g/mol
Exact Mass347.19
IUPAC Name[(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate
SMILES[2H][C@]1(CO[Si](C)(C)C(C)(C)C)OC(OC(C)=O)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H30O6Si/c1-10(17)19-14-13-12(21-16(5,6)22-13)11(20-14)9-18-23(7,8)15(2,3)4/h11-14H,9H2,1-8H3/t11-,12-,13-,14?/m1/s1/i11D
InChIKeyMFUROHCCMWEUBA-FFTQANNISA-N
XLogP2.82
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate?
The IUPAC name of [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate (CID 11725278) is [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate.
What is the SMILES notation for [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate?
The canonical SMILES for [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate is [2H][C@]1(CO[Si](C)(C)C(C)(C)C)OC(OC(C)=O)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate?
The InChIKey is MFUROHCCMWEUBA-FFTQANNISA-N. The full InChI is InChI=1S/C16H30O6Si/c1-10(17)19-14-13-12(21-16(5,6)22-13)11(20-14)9-18-23(7,8)15(2,3)4/h11-14H,9H2,1-8H3/t11-,12-,13-,14?/m1/s1/i11D.
What are the key properties of [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate?
[(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate has a molecular weight of 347.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl] acetate is sourced from PubChem (CID 11725278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).