[(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane

C29H58O4SiSn — CID 10746394

About [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane

[(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10746394) has the molecular formula C29H58O4SiSn and a molecular weight of 617.58 g/mol. Its IUPAC name is [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 10746394
• Molecular Formula: C29H58O4SiSn
• Molecular Weight: 617.58 g/mol
• Exact Mass: 618.31
• IUPAC Name: [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CCCC[Sn](/C=C1\CO[C@H]2[C@@H]1C[C@@H](OCC)O[C@@H]2CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
• InChI: InChI=1S/C17H31O4Si.3C4H9.Sn/c1-8-18-15-9-13-12(2)10-19-16(13)14(21-15)11-20-22(6,7)17(3,4)5;3*1-3-4-2;/h2,13-16H,8-11H2,1,3-7H3;3*1,3-4H2,2H3;/t13-,14-,15+,16+;;;;/m1..../s1
• InChIKey: UPPXBKSKNWGQSX-CHYRLJQLSA-N
• XLogP: 8.49
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.58
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane (CID 10746394) is [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane is CCCC[Sn](/C=C1\CO[C@H]2[C@@H]1C[C@@H](OCC)O[C@@H]2CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.

What is the InChIKey of [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is UPPXBKSKNWGQSX-CHYRLJQLSA-N. The full InChI is InChI=1S/C17H31O4Si.3C4H9.Sn/c1-8-18-15-9-13-12(2)10-19-16(13)14(21-15)11-20-22(6,7)17(3,4)5;3*1-3-4-2;/h2,13-16H,8-11H2,1,3-7H3;3*1,3-4H2,2H3;/t13-,14-,15+,16+;;;;/m1..../s1.

What are the key properties of [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?

[(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 617.58 g/mol, XLogP of 8.49, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10746394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).