3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol

C19H46O8Si3 — CID 58479003

IUPAC3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
SMILESCOCC(COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO
InChIInChI=1S/C19H46O8Si3/c1-22-16-19(25-15-18(21)14-20)17-24-12-11-23-10-9-13-30(8,26-28(2,3)4)27-29(5,6)7/h18-21H,9-17H2,1-8H3
InChIKeyRMUKRSWFHRZVQL-UHFFFAOYSA-N
MW486.83 g/mol
LogP2.57
Rot. Bonds19

About 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol

3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol (PubChem CID 58479003) has the molecular formula C19H46O8Si3 and a molecular weight of 486.83 g/mol. Its IUPAC name is 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
PubChem CID58479003
Molecular FormulaC19H46O8Si3
Molecular Weight486.83 g/mol
Exact Mass486.25
IUPAC Name3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
SMILESCOCC(COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO
InChIInChI=1S/C19H46O8Si3/c1-22-16-19(25-15-18(21)14-20)17-24-12-11-23-10-9-13-30(8,26-28(2,3)4)27-29(5,6)7/h18-21H,9-17H2,1-8H3
InChIKeyRMUKRSWFHRZVQL-UHFFFAOYSA-N
XLogP2.57
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.83
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol (CID 58479003) is 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol is COCC(COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO.
What is the InChIKey of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?
The InChIKey is RMUKRSWFHRZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46O8Si3/c1-22-16-19(25-15-18(21)14-20)17-24-12-11-23-10-9-13-30(8,26-28(2,3)4)27-29(5,6)7/h18-21H,9-17H2,1-8H3.
What are the key properties of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?
3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol has a molecular weight of 486.83 g/mol, XLogP of 2.57, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol is sourced from PubChem (CID 58479003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).