3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol

C16H44O8Si5 — CID 139597250

IUPAC3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol
SMILESC[Si](C)(OCCCO)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCO
InChIInChI=1S/C16H44O8Si5/c1-25(2,19-15-11-13-17)21-27(5,6)23-29(9,10)24-28(7,8)22-26(3,4)20-16-12-14-18/h17-18H,11-16H2,1-10H3
InChIKeyTZSHYDMZCJSAKC-UHFFFAOYSA-N
MW504.95 g/mol
LogP3.36
Rot. Bonds16

About 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol

3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol (PubChem CID 139597250) has the molecular formula C16H44O8Si5 and a molecular weight of 504.95 g/mol. Its IUPAC name is 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol
PubChem CID139597250
Molecular FormulaC16H44O8Si5
Molecular Weight504.95 g/mol
Exact Mass504.19
IUPAC Name3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol
SMILESC[Si](C)(OCCCO)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCO
InChIInChI=1S/C16H44O8Si5/c1-25(2,19-15-11-13-17)21-27(5,6)23-29(9,10)24-28(7,8)22-26(3,4)20-16-12-14-18/h17-18H,11-16H2,1-10H3
InChIKeyTZSHYDMZCJSAKC-UHFFFAOYSA-N
XLogP3.36
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.95
LogP ≤ 53.36
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-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?
The IUPAC name of 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol (CID 139597250) is 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol.
What is the SMILES notation for 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?
The canonical SMILES for 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol is C[Si](C)(OCCCO)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCO.
What is the InChIKey of 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?
The InChIKey is TZSHYDMZCJSAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H44O8Si5/c1-25(2,19-15-11-13-17)21-27(5,6)23-29(9,10)24-28(7,8)22-26(3,4)20-16-12-14-18/h17-18H,11-16H2,1-10H3.
What are the key properties of 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?
3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol has a molecular weight of 504.95 g/mol, XLogP of 3.36, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[[[3-hydroxypropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol is sourced from PubChem (CID 139597250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).