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

C25H32F2O5Si — CID 171471766

IUPAC(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@](O)(C(F)F)[C@H]2O1
InChIInChI=1S/C25H32F2O5Si/c1-23(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19-25(28,22(26)27)20-21(30-19)32-24(4,5)31-20/h6-15,19-22,28H,16H2,1-5H3/t19-,20+,21-,25-/m1/s1
InChIKeyVAKIQIWQHXOQBX-FBROZUCGSA-N
MW478.61 g/mol
LogP3.44
Rot. Bonds6

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

(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 171471766) has the molecular formula C25H32F2O5Si and a molecular weight of 478.61 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-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(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID171471766
Molecular FormulaC25H32F2O5Si
Molecular Weight478.61 g/mol
Exact Mass478.20
IUPAC Name(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@](O)(C(F)F)[C@H]2O1
InChIInChI=1S/C25H32F2O5Si/c1-23(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19-25(28,22(26)27)20-21(30-19)32-24(4,5)31-20/h6-15,19-22,28H,16H2,1-5H3/t19-,20+,21-,25-/m1/s1
InChIKeyVAKIQIWQHXOQBX-FBROZUCGSA-N
XLogP3.44
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-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(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-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(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 171471766) is (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-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(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-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(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@](O)(C(F)F)[C@H]2O1.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is VAKIQIWQHXOQBX-FBROZUCGSA-N. The full InChI is InChI=1S/C25H32F2O5Si/c1-23(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19-25(28,22(26)27)20-21(30-19)32-24(4,5)31-20/h6-15,19-22,28H,16H2,1-5H3/t19-,20+,21-,25-/m1/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 478.61 g/mol, XLogP of 3.44, 6 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(diphenyl)silyl]oxymethyl]-6-(difluoromethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 171471766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).