2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol

C17H42O5Si3 — CID 167647395

IUPAC2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol
SMILESCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(C)C(CO)CO
InChIInChI=1S/C17H42O5Si3/c1-9-23(3,4)21-25(7,8)22-24(5,6)12-10-11-20-15-16(2)17(13-18)14-19/h16-19H,9-15H2,1-8H3
InChIKeyQBQFWDJHZSKOLL-UHFFFAOYSA-N
MW410.78 g/mol
LogP3.80
Rot. Bonds14

About 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol

2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol (PubChem CID 167647395) has the molecular formula C17H42O5Si3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol
PubChem CID167647395
Molecular FormulaC17H42O5Si3
Molecular Weight410.78 g/mol
Exact Mass410.23
IUPAC Name2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol
SMILESCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(C)C(CO)CO
InChIInChI=1S/C17H42O5Si3/c1-9-23(3,4)21-25(7,8)22-24(5,6)12-10-11-20-15-16(2)17(13-18)14-19/h16-19H,9-15H2,1-8H3
InChIKeyQBQFWDJHZSKOLL-UHFFFAOYSA-N
XLogP3.80
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol
CID 157443694
1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
CID 59187881
ethyl-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 20657091
[1-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-hydroxypropan-2-yl] 2-methylprop-2-enoate
CID 102146077
1-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol
CID 58711087
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]ethanol
CID 20801390
3-[[[[[[3-hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-ol
CID 90989800
2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 59180551
bis[[dimethyl-[3-(2-triethylsilyloxyethoxy)propyl]silyl]oxy]-dimethylsilane
CID 161123400
1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol
CID 59324240
2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethane-1,1-diol
CID 163940247
(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol
CID 153425799

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol?
The IUPAC name of 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol (CID 167647395) is 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol.
What is the SMILES notation for 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol?
The canonical SMILES for 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol is CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(C)C(CO)CO.
What is the InChIKey of 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol?
The InChIKey is QBQFWDJHZSKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si3/c1-9-23(3,4)21-25(7,8)22-24(5,6)12-10-11-20-15-16(2)17(13-18)14-19/h16-19H,9-15H2,1-8H3.
What are the key properties of 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol?
2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol has a molecular weight of 410.78 g/mol, XLogP of 3.80, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-yl]propane-1,3-diol is sourced from PubChem (CID 167647395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).