(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C16H30O5Si — CID 10711524

IUPAC(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=C[C@@]1(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H30O5Si/c1-9-16(17)11(10-18-22(7,8)14(2,3)4)19-13-12(16)20-15(5,6)21-13/h9,11-13,17H,1,10H2,2-8H3/t11-,12+,13-,16-/m1/s1
InChIKeyZABJBNNRAMGSCR-OQMKEHIESA-N
MW330.50 g/mol
LogP2.80
Rot. Bonds4

About (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 10711524) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID10711524
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=C[C@@]1(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H30O5Si/c1-9-16(17)11(10-18-22(7,8)14(2,3)4)19-13-12(16)20-15(5,6)21-13/h9,11-13,17H,1,10H2,2-8H3/t11-,12+,13-,16-/m1/s1
InChIKeyZABJBNNRAMGSCR-OQMKEHIESA-N
XLogP2.80
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 10711524) is (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is C=C[C@@]1(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is ZABJBNNRAMGSCR-OQMKEHIESA-N. The full InChI is InChI=1S/C16H30O5Si/c1-9-16(17)11(10-18-22(7,8)14(2,3)4)19-13-12(16)20-15(5,6)21-13/h9,11-13,17H,1,10H2,2-8H3/t11-,12+,13-,16-/m1/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 330.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 10711524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).