hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane

C16H30O4Si2 — CID 123925511

IUPAChydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
SMILESC[Si](C)(O)CCCOc1ccc(OCCC[Si](C)(C)O)cc1
InChIInChI=1S/C16H30O4Si2/c1-21(2,17)13-5-11-19-15-7-9-16(10-8-15)20-12-6-14-22(3,4)18/h7-10,17-18H,5-6,11-14H2,1-4H3
InChIKeyXYALHHWNHAEKOQ-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.62
Rot. Bonds10

About hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane

hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane (PubChem CID 123925511) has the molecular formula C16H30O4Si2 and a molecular weight of 342.58 g/mol. Its IUPAC name is hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
PubChem CID123925511
Molecular FormulaC16H30O4Si2
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Namehydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
SMILESC[Si](C)(O)CCCOc1ccc(OCCC[Si](C)(C)O)cc1
InChIInChI=1S/C16H30O4Si2/c1-21(2,17)13-5-11-19-15-7-9-16(10-8-15)20-12-6-14-22(3,4)18/h7-10,17-18H,5-6,11-14H2,1-4H3
InChIKeyXYALHHWNHAEKOQ-UHFFFAOYSA-N
XLogP3.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane?
The IUPAC name of hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane (CID 123925511) is hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane.
What is the SMILES notation for hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane?
The canonical SMILES for hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane is C[Si](C)(O)CCCOc1ccc(OCCC[Si](C)(C)O)cc1.
What is the InChIKey of hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane?
The InChIKey is XYALHHWNHAEKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si2/c1-21(2,17)13-5-11-19-15-7-9-16(10-8-15)20-12-6-14-22(3,4)18/h7-10,17-18H,5-6,11-14H2,1-4H3.
What are the key properties of hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane?
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane has a molecular weight of 342.58 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane is sourced from PubChem (CID 123925511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).