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

C15H28O6Si — CID 67941935

IUPAC(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CO)OC(=O)[C@@]2([Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O6Si/c1-13(2,3)22(6,7)15-11(20-14(4,5)21-15)10(9(17)8-16)19-12(15)18/h9-11,16-17H,8H2,1-7H3/t9-,10-,11+,15-/m1/s1
InChIKeyLRDQXRRGEMQZRR-YYHMBLRTSA-N
MW332.47 g/mol
LogP1.20
Rot. Bonds3

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

(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 67941935) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID67941935
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CO)OC(=O)[C@@]2([Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O6Si/c1-13(2,3)22(6,7)15-11(20-14(4,5)21-15)10(9(17)8-16)19-12(15)18/h9-11,16-17H,8H2,1-7H3/t9-,10-,11+,15-/m1/s1
InChIKeyLRDQXRRGEMQZRR-YYHMBLRTSA-N
XLogP1.20
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-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,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 67941935) is (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@H]2[C@@H]([C@H](O)CO)OC(=O)[C@@]2([Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is LRDQXRRGEMQZRR-YYHMBLRTSA-N. The full InChI is InChI=1S/C15H28O6Si/c1-13(2,3)22(6,7)15-11(20-14(4,5)21-15)10(9(17)8-16)19-12(15)18/h9-11,16-17H,8H2,1-7H3/t9-,10-,11+,15-/m1/s1.
What are the key properties of (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 332.47 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 67941935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).