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

C14H26O5Si — CID 10086294

IUPAC(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O1
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(6,7)16-8-9-10(15)11-12(17-9)19-14(4,5)18-11/h9,11-12H,8H2,1-7H3/t9-,11-,12-/m1/s1
InChIKeyZPDYPKUQHMKSPJ-YUSALJHKSA-N
MW302.44 g/mol
LogP2.45
Rot. Bonds3

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

(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one (PubChem CID 10086294) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one.

Molecular Properties

Compound Name(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
PubChem CID10086294
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O1
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(6,7)16-8-9-10(15)11-12(17-9)19-14(4,5)18-11/h9,11-12H,8H2,1-7H3/t9-,11-,12-/m1/s1
InChIKeyZPDYPKUQHMKSPJ-YUSALJHKSA-N
XLogP2.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.45
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The IUPAC name of (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one (CID 10086294) is (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one.
What is the SMILES notation for (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The canonical SMILES for (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one is CC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O1.
What is the InChIKey of (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
The InChIKey is ZPDYPKUQHMKSPJ-YUSALJHKSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-13(2,3)20(6,7)16-8-9-10(15)11-12(17-9)19-14(4,5)18-11/h9,11-12H,8H2,1-7H3/t9-,11-,12-/m1/s1.
What are the key properties of (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one?
(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one has a molecular weight of 302.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one is sourced from PubChem (CID 10086294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).