[(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane

C28H40O6Si — CID 20739044

IUPAC[(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCO[C@H]1C(OC)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C28H40O6Si/c1-8-30-25-24-23(33-28(5,6)34-24)22(32-26(25)29-7)19-31-35(27(2,3)4,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-26H,8,19H2,1-7H3/t22-,23+,24+,25-,26?/m1/s1
InChIKeyUVHLUDUKRNUPNE-PPILAZRBSA-N
MW500.71 g/mol
LogP3.86
Rot. Bonds8

About [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 20739044) has the molecular formula C28H40O6Si and a molecular weight of 500.71 g/mol. Its IUPAC name is [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID20739044
Molecular FormulaC28H40O6Si
Molecular Weight500.71 g/mol
Exact Mass500.26
IUPAC Name[(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCO[C@H]1C(OC)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C28H40O6Si/c1-8-30-25-24-23(33-28(5,6)34-24)22(32-26(25)29-7)19-31-35(27(2,3)4,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-26H,8,19H2,1-7H3/t22-,23+,24+,25-,26?/m1/s1
InChIKeyUVHLUDUKRNUPNE-PPILAZRBSA-N
XLogP3.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.71
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane (CID 20739044) is [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane is CCO[C@H]1C(OC)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is UVHLUDUKRNUPNE-PPILAZRBSA-N. The full InChI is InChI=1S/C28H40O6Si/c1-8-30-25-24-23(33-28(5,6)34-24)22(32-26(25)29-7)19-31-35(27(2,3)4,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-26H,8,19H2,1-7H3/t22-,23+,24+,25-,26?/m1/s1.
What are the key properties of [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 500.71 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,7R,7aS)-7-ethoxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 20739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).