(3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol

C31H48O6Si2 — CID 134878718

IUPAC(3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@@]2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C31H48O6Si2/c1-28(2,3)38(9,10)33-21-25-26-31(27(32)35-25,37-30(7,8)36-26)22-34-39(29(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-27,32H,21-22H2,1-10H3/t25-,26+,27?,31+/m1/s1
InChIKeyFZDNJIJOVDWGPO-AAQHIEISSA-N
MW572.89 g/mol
LogP5.19
Rot. Bonds8

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

(3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 134878718) has the molecular formula C31H48O6Si2 and a molecular weight of 572.89 g/mol. Its IUPAC name is (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
PubChem CID134878718
Molecular FormulaC31H48O6Si2
Molecular Weight572.89 g/mol
Exact Mass572.30
IUPAC Name(3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@@]2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C31H48O6Si2/c1-28(2,3)38(9,10)33-21-25-26-31(27(32)35-25,37-30(7,8)36-26)22-34-39(29(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-27,32H,21-22H2,1-10H3/t25-,26+,27?,31+/m1/s1
InChIKeyFZDNJIJOVDWGPO-AAQHIEISSA-N
XLogP5.19
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.89
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol (CID 134878718) is (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@@]2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
The InChIKey is FZDNJIJOVDWGPO-AAQHIEISSA-N. The full InChI is InChI=1S/C31H48O6Si2/c1-28(2,3)38(9,10)33-21-25-26-31(27(32)35-25,37-30(7,8)36-26)22-34-39(29(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-27,32H,21-22H2,1-10H3/t25-,26+,27?,31+/m1/s1.
What are the key properties of (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol?
(3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 572.89 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 134878718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).