[(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C26H36O4Si — CID 147277920

IUPAC[(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O4Si/c1-7-21-22(28-24-23(21)29-26(5,6)30-24)18-27-31(25(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21-24H,7,18H2,1-6H3/t21-,22-,23-,24-/m1/s1
InChIKeyCRSLEPXRBHKODT-MOUTVQLLSA-N
MW440.66 g/mol
LogP4.47
Rot. Bonds6

About [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 147277920) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID147277920
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Name[(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O4Si/c1-7-21-22(28-24-23(21)29-26(5,6)30-24)18-27-31(25(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21-24H,7,18H2,1-6H3/t21-,22-,23-,24-/m1/s1
InChIKeyCRSLEPXRBHKODT-MOUTVQLLSA-N
XLogP4.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 147277920) is [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is CC[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is CRSLEPXRBHKODT-MOUTVQLLSA-N. The full InChI is InChI=1S/C26H36O4Si/c1-7-21-22(28-24-23(21)29-26(5,6)30-24)18-27-31(25(2,3)4,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21-24H,7,18H2,1-6H3/t21-,22-,23-,24-/m1/s1.
What are the key properties of [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 440.66 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6R,6aR)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 147277920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).