[(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane

C12H22O3Si — CID 132581186

IUPAC[(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CO[C@@H]2C=CO[C@H]12
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-10-8-14-9-6-7-13-11(9)10/h6-7,9-11H,8H2,1-5H3/t9-,10+,11+/m1/s1
InChIKeyXESMNLDZPMGUSD-VWYCJHECSA-N
MW242.39 g/mol
LogP2.69
Rot. Bonds2

About [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 132581186) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID132581186
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name[(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CO[C@@H]2C=CO[C@H]12
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-10-8-14-9-6-7-13-11(9)10/h6-7,9-11H,8H2,1-5H3/t9-,10+,11+/m1/s1
InChIKeyXESMNLDZPMGUSD-VWYCJHECSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (CID 132581186) is [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CO[C@@H]2C=CO[C@H]12.
What is the InChIKey of [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XESMNLDZPMGUSD-VWYCJHECSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)15-10-8-14-9-6-7-13-11(9)10/h6-7,9-11H,8H2,1-5H3/t9-,10+,11+/m1/s1.
What are the key properties of [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
[(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 242.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6aR)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 132581186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).