(1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one

C17H28O5Si — CID 11151988

IUPAC(1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one
SMILESCC1(C)OCC2=C(CO[Si](C)(C)C(C)(C)C)C(=O)[C@@H]3O[C@@H]3[C@H]2O1
InChIInChI=1S/C17H28O5Si/c1-16(2,3)23(6,7)20-9-10-11-8-19-17(4,5)22-13(11)15-14(21-15)12(10)18/h13-15H,8-9H2,1-7H3/t13-,14-,15+/m0/s1
InChIKeyNFLUUHPAXLNCRA-SOUVJXGZSA-N
MW340.49 g/mol
LogP2.81
Rot. Bonds3

About (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one

(1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one (PubChem CID 11151988) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one.

Molecular Properties

Compound Name(1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one
PubChem CID11151988
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name(1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one
SMILESCC1(C)OCC2=C(CO[Si](C)(C)C(C)(C)C)C(=O)[C@@H]3O[C@@H]3[C@H]2O1
InChIInChI=1S/C17H28O5Si/c1-16(2,3)23(6,7)20-9-10-11-8-19-17(4,5)22-13(11)15-14(21-15)12(10)18/h13-15H,8-9H2,1-7H3/t13-,14-,15+/m0/s1
InChIKeyNFLUUHPAXLNCRA-SOUVJXGZSA-N
XLogP2.81
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one 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 (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one?
The IUPAC name of (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one (CID 11151988) is (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one.
What is the SMILES notation for (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one?
The canonical SMILES for (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one is CC1(C)OCC2=C(CO[Si](C)(C)C(C)(C)C)C(=O)[C@@H]3O[C@@H]3[C@H]2O1.
What is the InChIKey of (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one?
The InChIKey is NFLUUHPAXLNCRA-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-16(2,3)23(6,7)20-9-10-11-8-19-17(4,5)22-13(11)15-14(21-15)12(10)18/h13-15H,8-9H2,1-7H3/t13-,14-,15+/m0/s1.
What are the key properties of (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one?
(1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one has a molecular weight of 340.49 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7aS,7bR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-1a,4,7a,7b-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-one is sourced from PubChem (CID 11151988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).