6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol

C18H44O4Si3 — CID 59942720

IUPAC6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol
SMILESC[Si](C)(CCCCCCO)O[Si](C)(C)O[Si](C)(C)CCCCCCO
InChIInChI=1S/C18H44O4Si3/c1-23(2,17-13-9-7-11-15-19)21-25(5,6)22-24(3,4)18-14-10-8-12-16-20/h19-20H,7-18H2,1-6H3
InChIKeyHTLKLOILXFAPPD-UHFFFAOYSA-N
MW408.80 g/mol
LogP5.24
Rot. Bonds16

About 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol

6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol (PubChem CID 59942720) has the molecular formula C18H44O4Si3 and a molecular weight of 408.80 g/mol. Its IUPAC name is 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol.

Molecular Properties

Compound Name6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol
PubChem CID59942720
Molecular FormulaC18H44O4Si3
Molecular Weight408.80 g/mol
Exact Mass408.25
IUPAC Name6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol
SMILESC[Si](C)(CCCCCCO)O[Si](C)(C)O[Si](C)(C)CCCCCCO
InChIInChI=1S/C18H44O4Si3/c1-23(2,17-13-9-7-11-15-19)21-25(5,6)22-24(3,4)18-14-10-8-12-16-20/h19-20H,7-18H2,1-6H3
InChIKeyHTLKLOILXFAPPD-UHFFFAOYSA-N
XLogP5.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 55.24
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 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol?
The IUPAC name of 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol (CID 59942720) is 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol.
What is the SMILES notation for 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol?
The canonical SMILES for 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol is C[Si](C)(CCCCCCO)O[Si](C)(C)O[Si](C)(C)CCCCCCO.
What is the InChIKey of 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol?
The InChIKey is HTLKLOILXFAPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O4Si3/c1-23(2,17-13-9-7-11-15-19)21-25(5,6)22-24(3,4)18-14-10-8-12-16-20/h19-20H,7-18H2,1-6H3.
What are the key properties of 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol?
6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol has a molecular weight of 408.80 g/mol, XLogP of 5.24, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[6-hydroxyhexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexan-1-ol is sourced from PubChem (CID 59942720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).