(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

C14H28O4Si — CID 22308831

IUPAC(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@@H]2[C@H](C[Si](C)(C)C(C)(C)C)OC(O)[C@@H]2O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)8-9-10-11(12(15)16-9)18-14(4,5)17-10/h9-12,15H,8H2,1-7H3/t9-,10+,11+,12?/m0/s1
InChIKeyUSCZZTGMOAFZDI-YZTHKRDXSA-N
MW288.46 g/mol
LogP2.73
Rot. Bonds2

About (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (PubChem CID 22308831) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
PubChem CID22308831
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@@H]2[C@H](C[Si](C)(C)C(C)(C)C)OC(O)[C@@H]2O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)8-9-10-11(12(15)16-9)18-14(4,5)17-10/h9-12,15H,8H2,1-7H3/t9-,10+,11+,12?/m0/s1
InChIKeyUSCZZTGMOAFZDI-YZTHKRDXSA-N
XLogP2.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (CID 22308831) is (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@@H]2[C@H](C[Si](C)(C)C(C)(C)C)OC(O)[C@@H]2O1.
What is the InChIKey of (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The InChIKey is USCZZTGMOAFZDI-YZTHKRDXSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)8-9-10-11(12(15)16-9)18-14(4,5)17-10/h9-12,15H,8H2,1-7H3/t9-,10+,11+,12?/m0/s1.
What are the key properties of (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
(3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol has a molecular weight of 288.46 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 22308831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).