tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane

C45H96O4Si3Sn — CID 10909148

About tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane

tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane (PubChem CID 10909148) has the molecular formula C45H96O4Si3Sn and a molecular weight of 904.23 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
• PubChem CID: 10909148
• Molecular Formula: C45H96O4Si3Sn
• Molecular Weight: 904.23 g/mol
• Exact Mass: 904.56
• IUPAC Name: tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
• SMILES: CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
• InChI: InChI=1S/C33H69O4Si3.3C4H9.Sn/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12;3*1-3-4-2;/h19,22-33H,21H2,1-18H3;3*1,3-4H2,2H3;/t31-,32-,33+;;;;/m1..../s1
• InChIKey: LHNFJAFPMRNQLR-CCCMZZABSA-N
• XLogP: 15.97
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 26
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.23
LogP ≤ 5	15.97
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 tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?

The IUPAC name of tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane (CID 10909148) is tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane is CCCC[Sn](CCCC)(CCCC)C1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1.

What is the InChIKey of tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?

The InChIKey is LHNFJAFPMRNQLR-CCCMZZABSA-N. The full InChI is InChI=1S/C33H69O4Si3.3C4H9.Sn/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12;3*1-3-4-2;/h19,22-33H,21H2,1-18H3;3*1,3-4H2,2H3;/t31-,32-,33+;;;;/m1..../s1.

What are the key properties of tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?

tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane has a molecular weight of 904.23 g/mol, XLogP of 15.97, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane is sourced from PubChem (CID 10909148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).