2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol

About 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol

2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol (PubChem CID 153425816) has the molecular formula C52H136O17Si15 and a molecular weight of 1454.93 g/mol. Its IUPAC name is 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol.

Molecular Properties

Compound Name	2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol
PubChem CID	153425816
Molecular Formula	C52H136O17Si15
Molecular Weight	1454.93 g/mol
Exact Mass	1452.63
IUPAC Name	2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol
SMILES	C[Si](C)(C)O[Si](C)(CCCOC(CO)C(OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI	InChI=1S/C52H136O17Si15/c1-70(2,3)59-81(34,60-71(4,5)6)43-35-39-55-49(47-53)51(57-41-37-45-83(64-75(16,17)18,65-76(19,20)21)66-77(22,23)24)52(58-42-38-46-84(67-78(25,26)27,68-79(28,29)30)69-80(31,32)33)50(48-54)56-40-36-44-82(61-72(7,8)9,62-73(10,11)12)63-74(13,14)15/h49-54H,35-48H2,1-34H3
InChIKey	DTJCXZJQAYHQKK-UHFFFAOYSA-N
XLogP	15.33
TPSA	178.91 Å²
H-Bond Donors	2
H-Bond Acceptors	17
Rotatable Bonds	47
Heavy Atoms	84
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1454.93
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol?

The IUPAC name of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol (CID 153425816) is 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol.

What is the SMILES notation for 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol?

The canonical SMILES for 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol is C[Si](C)(C)O[Si](C)(CCCOC(CO)C(OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol?

The InChIKey is DTJCXZJQAYHQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H136O17Si15/c1-70(2,3)59-81(34,60-71(4,5)6)43-35-39-55-49(47-53)51(57-41-37-45-83(64-75(16,17)18,65-76(19,20)21)66-77(22,23)24)52(58-42-38-46-84(67-78(25,26)27,68-79(28,29)30)69-80(31,32)33)50(48-54)56-40-36-44-82(61-72(7,8)9,62-73(10,11)12)63-74(13,14)15/h49-54H,35-48H2,1-34H3.

What are the key properties of 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol?

2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol has a molecular weight of 1454.93 g/mol, XLogP of 15.33, 47 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol is sourced from PubChem (CID 153425816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).