(3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one

C15H28O5Si — CID 10805390

IUPAC(3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
SMILESCC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O1
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)17-9-8-10-11(16)12-13(18-10)20-15(4,5)19-12/h10,12-13H,8-9H2,1-7H3/t10-,12-,13-/m1/s1
InChIKeyTUNLWXTWBZUZOM-RAIGVLPGSA-N
MW316.47 g/mol
LogP2.84
Rot. Bonds4

About (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one

(3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one (PubChem CID 10805390) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one.

Molecular Properties

Compound Name(3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
PubChem CID10805390
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
SMILESCC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O1
InChIInChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)17-9-8-10-11(16)12-13(18-10)20-15(4,5)19-12/h10,12-13H,8-9H2,1-7H3/t10-,12-,13-/m1/s1
InChIKeyTUNLWXTWBZUZOM-RAIGVLPGSA-N
XLogP2.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The IUPAC name of (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one (CID 10805390) is (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one.
What is the SMILES notation for (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The canonical SMILES for (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one is CC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O1.
What is the InChIKey of (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The InChIKey is TUNLWXTWBZUZOM-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)17-9-8-10-11(16)12-13(18-10)20-15(4,5)19-12/h10,12-13H,8-9H2,1-7H3/t10-,12-,13-/m1/s1.
What are the key properties of (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
(3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one has a molecular weight of 316.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aS)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one is sourced from PubChem (CID 10805390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).