(4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol

C16H32O6Si — CID 54362610

IUPAC(4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol
SMILESCO[C@]12COC(C)(C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C16H32O6Si/c1-14(2,3)23(7,8)20-9-11-12(17)13-16(18-6,21-11)10-19-15(4,5)22-13/h11-13,17H,9-10H2,1-8H3/t11-,12-,13+,16+/m1/s1
InChIKeyUNNYPTSBRNPYEH-FOCJUVANSA-N
MW348.51 g/mol
LogP2.26
Rot. Bonds4

About (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol

(4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol (PubChem CID 54362610) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name(4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol
PubChem CID54362610
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name(4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol
SMILESCO[C@]12COC(C)(C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C16H32O6Si/c1-14(2,3)23(7,8)20-9-11-12(17)13-16(18-6,21-11)10-19-15(4,5)22-13/h11-13,17H,9-10H2,1-8H3/t11-,12-,13+,16+/m1/s1
InChIKeyUNNYPTSBRNPYEH-FOCJUVANSA-N
XLogP2.26
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol (CID 54362610) is (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol is CO[C@]12COC(C)(C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2.
What is the InChIKey of (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol?
The InChIKey is UNNYPTSBRNPYEH-FOCJUVANSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-14(2,3)23(7,8)20-9-11-12(17)13-16(18-6,21-11)10-19-15(4,5)22-13/h11-13,17H,9-10H2,1-8H3/t11-,12-,13+,16+/m1/s1.
What are the key properties of (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol?
(4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol has a molecular weight of 348.51 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,7R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 54362610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).