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

C13H24O3Si — CID 67049508

IUPAC[(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-9-7-14-12-10(8-15-11(9)12)16-17(5,6)13(2,3)4/h10-12H,1,7-8H2,2-6H3/t10-,11-,12-/m1/s1
InChIKeySXUKLLWDFDRBHA-IJLUTSLNSA-N
MW256.42 g/mol
LogP2.73
Rot. Bonds2

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

[(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 67049508) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID67049508
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-9-7-14-12-10(8-15-11(9)12)16-17(5,6)13(2,3)4/h10-12H,1,7-8H2,2-6H3/t10-,11-,12-/m1/s1
InChIKeySXUKLLWDFDRBHA-IJLUTSLNSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (CID 67049508) is [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is C=C1CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SXUKLLWDFDRBHA-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-9-7-14-12-10(8-15-11(9)12)16-17(5,6)13(2,3)4/h10-12H,1,7-8H2,2-6H3/t10-,11-,12-/m1/s1.
What are the key properties of [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 256.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aR)-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67049508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).