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

C27H56O2SiSn — CID 11800971

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

tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane (PubChem CID 11800971) has the molecular formula C27H56O2SiSn and a molecular weight of 559.54 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
• PubChem CID: 11800971
• Molecular Formula: C27H56O2SiSn
• Molecular Weight: 559.54 g/mol
• Exact Mass: 560.31
• IUPAC Name: tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
• SMILES: CCCC[Sn](CCCC)(CCCC)C1=CCC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O1
• InChI: InChI=1S/C15H29O2Si.3C4H9.Sn/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16-15;3*1-3-4-2;/h8,12-15H,7,9,11H2,1-6H3;3*1,3-4H2,2H3;/t15-;;;;/m0..../s1
• InChIKey: JZVUEFIKKZZLNL-FWELSTJRSA-N
• XLogP: 9.63
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.54
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?

The IUPAC name of tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane (CID 11800971) is tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane.

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

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

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

The InChIKey is JZVUEFIKKZZLNL-FWELSTJRSA-N. The full InChI is InChI=1S/C15H29O2Si.3C4H9.Sn/c1-12(2)18(13(3)4,14(5)6)17-11-15-9-7-8-10-16-15;3*1-3-4-2;/h8,12-15H,7,9,11H2,1-6H3;3*1,3-4H2,2H3;/t15-;;;;/m0..../s1.

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

tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane has a molecular weight of 559.54 g/mol, XLogP of 9.63, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[[(2S)-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy]silane is sourced from PubChem (CID 11800971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).