[(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane

C18H38O4Si2 — CID 91758703

IUPAC[(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C18H38O4Si2/c1-7-23(8-2,9-3)21-15-13-19-18-16(14-20-17(15)18)22-24(10-4,11-5)12-6/h15-18H,7-14H2,1-6H3/t15-,16+,17-,18-/m1/s1
InChIKeyMKRYLAIESKPNPB-XMTFNYHQSA-N
MW374.67 g/mol
LogP4.56
Rot. Bonds10

About [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane

[(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane (PubChem CID 91758703) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane
PubChem CID91758703
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name[(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C18H38O4Si2/c1-7-23(8-2,9-3)21-15-13-19-18-16(14-20-17(15)18)22-24(10-4,11-5)12-6/h15-18H,7-14H2,1-6H3/t15-,16+,17-,18-/m1/s1
InChIKeyMKRYLAIESKPNPB-XMTFNYHQSA-N
XLogP4.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.56
H-Bond Donors ≤ 50
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 [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane?
The IUPAC name of [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane (CID 91758703) is [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane.
What is the SMILES notation for [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane?
The canonical SMILES for [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[Si](CC)(CC)CC.
What is the InChIKey of [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane?
The InChIKey is MKRYLAIESKPNPB-XMTFNYHQSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-7-23(8-2,9-3)21-15-13-19-18-16(14-20-17(15)18)22-24(10-4,11-5)12-6/h15-18H,7-14H2,1-6H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane?
[(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane has a molecular weight of 374.67 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6R,6aS)-3-triethylsilyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-triethylsilane is sourced from PubChem (CID 91758703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).