[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane

C11H18O4Si — CID 58805464

IUPAC[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)C([Si](C)(C)O)=CC1O[C@H]12
InChIInChI=1S/C11H18O4Si/c1-11(2)14-9-7(16(3,4)12)5-6-8(13-6)10(9)15-11/h5-6,8-10,12H,1-4H3/t6?,8-,9-,10+/m1/s1
InChIKeyLCLDNHWAGSDNGF-DTGIGOFRSA-N
MW242.35 g/mol
LogP0.95
Rot. Bonds1

About [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane

[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane (PubChem CID 58805464) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane
PubChem CID58805464
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)C([Si](C)(C)O)=CC1O[C@H]12
InChIInChI=1S/C11H18O4Si/c1-11(2)14-9-7(16(3,4)12)5-6-8(13-6)10(9)15-11/h5-6,8-10,12H,1-4H3/t6?,8-,9-,10+/m1/s1
InChIKeyLCLDNHWAGSDNGF-DTGIGOFRSA-N
XLogP0.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane 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 [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane?
The IUPAC name of [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane (CID 58805464) is [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane is CC1(C)O[C@@H]2[C@H](O1)C([Si](C)(C)O)=CC1O[C@H]12.
What is the InChIKey of [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane?
The InChIKey is LCLDNHWAGSDNGF-DTGIGOFRSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-11(2)14-9-7(16(3,4)12)5-6-8(13-6)10(9)15-11/h5-6,8-10,12H,1-4H3/t6?,8-,9-,10+/m1/s1.
What are the key properties of [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane?
[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane has a molecular weight of 242.35 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 58805464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).