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

C15H28O5Si — CID 67836117

IUPAC(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H](CCO)OC(=O)[C@@]2([Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O5Si/c1-13(2,3)21(6,7)15-11(19-14(4,5)20-15)10(8-9-16)18-12(15)17/h10-11,16H,8-9H2,1-7H3/t10-,11+,15-/m1/s1
InChIKeyLHRRYYUHPZHTQA-JRPNMDOOSA-N
MW316.47 g/mol
LogP2.23
Rot. Bonds3

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

(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 67836117) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID67836117
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H](CCO)OC(=O)[C@@]2([Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O5Si/c1-13(2,3)21(6,7)15-11(19-14(4,5)20-15)10(8-9-16)18-12(15)17/h10-11,16H,8-9H2,1-7H3/t10-,11+,15-/m1/s1
InChIKeyLHRRYYUHPZHTQA-JRPNMDOOSA-N
XLogP2.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 67836117) is (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@H]2[C@@H](CCO)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-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is LHRRYYUHPZHTQA-JRPNMDOOSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-13(2,3)21(6,7)15-11(19-14(4,5)20-15)10(8-9-16)18-12(15)17/h10-11,16H,8-9H2,1-7H3/t10-,11+,15-/m1/s1.
What are the key properties of (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
(3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 316.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-3a-[tert-butyl(dimethyl)silyl]-6-(2-hydroxyethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 67836117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).