(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

C15H28O5Si — CID 125459626

IUPAC(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@]2(C)O1
InChIInChI=1S/C15H28O5Si/c1-13(2,3)21(7,8)17-9-10-11-15(6,12(16)18-10)20-14(4,5)19-11/h10-11H,9H2,1-8H3/t10-,11-,15-/m1/s1
InChIKeyKTSKQFGAGCVRQR-UEKVPHQBSA-N
MW316.47 g/mol
LogP2.84
Rot. Bonds3

About (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 125459626) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID125459626
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@]2(C)O1
InChIInChI=1S/C15H28O5Si/c1-13(2,3)21(7,8)17-9-10-11-15(6,12(16)18-10)20-14(4,5)19-11/h10-11H,9H2,1-8H3/t10-,11-,15-/m1/s1
InChIKeyKTSKQFGAGCVRQR-UEKVPHQBSA-N
XLogP2.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 125459626) is (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@]2(C)O1.
What is the InChIKey of (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is KTSKQFGAGCVRQR-UEKVPHQBSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-13(2,3)21(7,8)17-9-10-11-15(6,12(16)18-10)20-14(4,5)19-11/h10-11H,9H2,1-8H3/t10-,11-,15-/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 316.47 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 125459626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).