chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride

C22H78Cl2O6Si6 — CID 159435965

About chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride

chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride (PubChem CID 159435965) has the molecular formula C22H78Cl2O6Si6 and a molecular weight of 678.28 g/mol. Its IUPAC name is chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride.

Molecular Properties

• Compound Name: chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride
• PubChem CID: 159435965
• Molecular Formula: C22H78Cl2O6Si6
• Molecular Weight: 678.28 g/mol
• Exact Mass: 676.38
• IUPAC Name: chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride
• SMILES: C.C.C.C.C[Si](C)(C)Cl.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O[Si](C)(C)C.Cl.O.O
• InChI: InChI=1S/C6H18OSi2.C3H9ClSi.3C3H10OSi.4CH4.ClH.2H2O/c1-8(2,3)7-9(4,5)6;4*1-5(2,3)4;;;;;;;/h1-6H3;1-3H3;3*4H,1-3H3;4*1H4;1H;2*1H2
• InChIKey: OOUKCFLFCYZVEI-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 132.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.28
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride?

The IUPAC name of chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride (CID 159435965) is chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride.

What is the SMILES notation for chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride?

The canonical SMILES for chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride is C.C.C.C.C[Si](C)(C)Cl.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O.C[Si](C)(C)O[Si](C)(C)C.Cl.O.O.

What is the InChIKey of chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride?

The InChIKey is OOUKCFLFCYZVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18OSi2.C3H9ClSi.3C3H10OSi.4CH4.ClH.2H2O/c1-8(2,3)7-9(4,5)6;4*1-5(2,3)4;;;;;;;/h1-6H3;1-3H3;3*4H,1-3H3;4*1H4;1H;2*1H2.

What are the key properties of chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride?

chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride has a molecular weight of 678.28 g/mol, XLogP of 8.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for chloro(trimethyl)silane;tris(hydroxy(trimethyl)silane);methane;trimethyl(trimethylsilyloxy)silane;dihydrate;hydrochloride is sourced from PubChem (CID 159435965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).