(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

C25H34O5Si — CID 15252032

IUPAC(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2[C@@H](O1)C(C)(O)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O5Si/c1-23(2,3)31(18-13-9-7-10-14-18,19-15-11-8-12-16-19)27-17-20-21-22(25(6,26)28-20)30-24(4,5)29-21/h7-16,20-22,26H,17H2,1-6H3/t20-,21-,22-,25?/m1/s1
InChIKeyOEMLCKYXCDMUNX-AEGADVIYSA-N
MW442.63 g/mol
LogP3.19
Rot. Bonds5

About (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 15252032) has the molecular formula C25H34O5Si and a molecular weight of 442.63 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
PubChem CID15252032
Molecular FormulaC25H34O5Si
Molecular Weight442.63 g/mol
Exact Mass442.22
IUPAC Name(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2[C@@H](O1)C(C)(O)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O5Si/c1-23(2,3)31(18-13-9-7-10-14-18,19-15-11-8-12-16-19)27-17-20-21-22(25(6,26)28-20)30-24(4,5)29-21/h7-16,20-22,26H,17H2,1-6H3/t20-,21-,22-,25?/m1/s1
InChIKeyOEMLCKYXCDMUNX-AEGADVIYSA-N
XLogP3.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (CID 15252032) is (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@H]2[C@@H](O1)C(C)(O)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
The InChIKey is OEMLCKYXCDMUNX-AEGADVIYSA-N. The full InChI is InChI=1S/C25H34O5Si/c1-23(2,3)31(18-13-9-7-10-14-18,19-15-11-8-12-16-19)27-17-20-21-22(25(6,26)28-20)30-24(4,5)29-21/h7-16,20-22,26H,17H2,1-6H3/t20-,21-,22-,25?/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?
(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 442.63 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 15252032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).