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

C11H18O4Si — CID 10014631

IUPAC[(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane
SMILESCC1(C)O[C@H]2C=C[C@@H]3O[C@]3([Si](C)(C)O)[C@H]2O1
InChIInChI=1S/C11H18O4Si/c1-10(2)13-7-5-6-8-11(14-8,9(7)15-10)16(3,4)12/h5-9,12H,1-4H3/t7-,8-,9-,11+/m0/s1
InChIKeyMNHVDLMHHJHHPQ-FTYOSLGDSA-N
MW242.35 g/mol
LogP0.95
Rot. Bonds1

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

[(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane (PubChem CID 10014631) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane
PubChem CID10014631
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name[(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane
SMILESCC1(C)O[C@H]2C=C[C@@H]3O[C@]3([Si](C)(C)O)[C@H]2O1
InChIInChI=1S/C11H18O4Si/c1-10(2)13-7-5-6-8-11(14-8,9(7)15-10)16(3,4)12/h5-9,12H,1-4H3/t7-,8-,9-,11+/m0/s1
InChIKeyMNHVDLMHHJHHPQ-FTYOSLGDSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane?
The IUPAC name of [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane (CID 10014631) is [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane is CC1(C)O[C@H]2C=C[C@@H]3O[C@]3([Si](C)(C)O)[C@H]2O1.
What is the InChIKey of [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane?
The InChIKey is MNHVDLMHHJHHPQ-FTYOSLGDSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-10(2)13-7-5-6-8-11(14-8,9(7)15-10)16(3,4)12/h5-9,12H,1-4H3/t7-,8-,9-,11+/m0/s1.
What are the key properties of [(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane?
[(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-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,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 10014631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).