methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane

C31H60O3Si — CID 101270451

About methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane

methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane (PubChem CID 101270451) has the molecular formula C31H60O3Si and a molecular weight of 508.90 g/mol. Its IUPAC name is methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane.

Molecular Properties

• Compound Name: methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
• PubChem CID: 101270451
• Molecular Formula: C31H60O3Si
• Molecular Weight: 508.90 g/mol
• Exact Mass: 508.43
• IUPAC Name: methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si](C)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
• InChI: InChI=1S/C31H60O3Si/c1-20(2)26-14-11-23(7)17-29(26)32-35(10,33-30-18-24(8)12-15-27(30)21(3)4)34-31-19-25(9)13-16-28(31)22(5)6/h20-31H,11-19H2,1-10H3/t23-,24-,25-,26+,27+,28+,29-,30-,31-/m1/s1
• InChIKey: VVLZDUWLUGVKGX-OYQLFMJPSA-N
• XLogP: 8.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.90
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane?

The IUPAC name of methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane (CID 101270451) is methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane.

What is the SMILES notation for methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane?

The canonical SMILES for methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si](C)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.

What is the InChIKey of methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane?

The InChIKey is VVLZDUWLUGVKGX-OYQLFMJPSA-N. The full InChI is InChI=1S/C31H60O3Si/c1-20(2)26-14-11-23(7)17-29(26)32-35(10,33-30-18-24(8)12-15-27(30)21(3)4)34-31-19-25(9)13-16-28(31)22(5)6/h20-31H,11-19H2,1-10H3/t23-,24-,25-,26+,27+,28+,29-,30-,31-/m1/s1.

What are the key properties of methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane?

methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane has a molecular weight of 508.90 g/mol, XLogP of 8.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane is sourced from PubChem (CID 101270451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).