trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane

C42H90O2Si3Sn — CID 164686642

About trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane

trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane (PubChem CID 164686642) has the molecular formula C42H90O2Si3Sn and a molecular weight of 830.15 g/mol. Its IUPAC name is trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane.

Molecular Properties

• Compound Name: trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane
• PubChem CID: 164686642
• Molecular Formula: C42H90O2Si3Sn
• Molecular Weight: 830.15 g/mol
• Exact Mass: 830.53
• IUPAC Name: trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane
• SMILES: CCCC[Sn](CCCC)(CCCC)CC1CC(CO[Si](C(C)C)(C(C)C)C(C)C)(CO[Si](C(C)C)(C(C)C)C(C)C)C/C1=C/[Si](C)(C)C
• InChI: InChI=1S/C30H63O2Si3.3C4H9.Sn/c1-22(2)34(23(3)4,24(5)6)31-20-30(17-28(13)29(18-30)19-33(14,15)16)21-32-35(25(7)8,26(9)10)27(11)12;3*1-3-4-2;/h19,22-28H,13,17-18,20-21H2,1-12,14-16H3;3*1,3-4H2,2H3;/b29-19-
• InChIKey: CFNBWXUPQAOBJF-YDGMWLNNSA-N
• XLogP: 15.42
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 24
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.15
LogP ≤ 5	15.42
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 trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane?

The IUPAC name of trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane (CID 164686642) is trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane.

What is the SMILES notation for trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane?

The canonical SMILES for trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane is CCCC[Sn](CCCC)(CCCC)CC1CC(CO[Si](C(C)C)(C(C)C)C(C)C)(CO[Si](C(C)C)(C(C)C)C(C)C)C/C1=C/[Si](C)(C)C.

What is the InChIKey of trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane?

The InChIKey is CFNBWXUPQAOBJF-YDGMWLNNSA-N. The full InChI is InChI=1S/C30H63O2Si3.3C4H9.Sn/c1-22(2)34(23(3)4,24(5)6)31-20-30(17-28(13)29(18-30)19-33(14,15)16)21-32-35(25(7)8,26(9)10)27(11)12;3*1-3-4-2;/h19,22-28H,13,17-18,20-21H2,1-12,14-16H3;3*1,3-4H2,2H3;/b29-19-;;;;.

What are the key properties of trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane?

trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane has a molecular weight of 830.15 g/mol, XLogP of 15.42, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(Z)-[2-(tributylstannylmethyl)-4,4-bis[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]methyl]silane is sourced from PubChem (CID 164686642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).