2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate

C18H50O5Si2 — CID 158143243

IUPAC2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate
SMILESC.C.C.C.C=COC(CC)[Si](C)(C)O[Si](C)(C)CCCOCCO.O
InChIInChI=1S/C14H32O4Si2.4CH4.H2O/c1-7-14(17-8-2)20(5,6)18-19(3,4)13-9-11-16-12-10-15;;;;;/h8,14-15H,2,7,9-13H2,1,3-6H3;4*1H4;1H2
InChIKeyFUEXACZOXQGNTF-UHFFFAOYSA-N
MW402.77 g/mol
LogP5.01
Rot. Bonds12

About 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate

2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate (PubChem CID 158143243) has the molecular formula C18H50O5Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate.

Molecular Properties

Compound Name2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate
PubChem CID158143243
Molecular FormulaC18H50O5Si2
Molecular Weight402.77 g/mol
Exact Mass402.32
IUPAC Name2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate
SMILESC.C.C.C.C=COC(CC)[Si](C)(C)O[Si](C)(C)CCCOCCO.O
InChIInChI=1S/C14H32O4Si2.4CH4.H2O/c1-7-14(17-8-2)20(5,6)18-19(3,4)13-9-11-16-12-10-15;;;;;/h8,14-15H,2,7,9-13H2,1,3-6H3;4*1H4;1H2
InChIKeyFUEXACZOXQGNTF-UHFFFAOYSA-N
XLogP5.01
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate
CID 165045281
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]ethanol
CID 20801390
2-[3-[[[bis[3-(2-hydroxyethoxy)propyl]-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 59180551
[dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silyl]oxy-dimethyl-[3-(2-prop-2-enoxyethoxy)propyl]silane;methane
CID 162065116
2-[3-[[[3-(methoxymethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
CID 58159183
CID 123762580
CID 123762580
2-[4-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethanol;2-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octoxy]ethanol;4-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]butan-1-ol;3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-[3-[[[butyl(dimethyl)silyl]oxy-methylsilyl]oxy-dimethylsilyl]propoxy]ethanol;methane
CID 161376672
2-[3-[dihydroxy(methyl)silyl]propoxy]ethanol
CID 146831861
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl ethenyl carbonate
CID 58104910
CID 59850394
CID 59850394
CID 58050979
CID 58050979
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
CID 176653191

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate?
The IUPAC name of 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate (CID 158143243) is 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate.
What is the SMILES notation for 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate?
The canonical SMILES for 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate is C.C.C.C.C=COC(CC)[Si](C)(C)O[Si](C)(C)CCCOCCO.O.
What is the InChIKey of 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate?
The InChIKey is FUEXACZOXQGNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O4Si2.4CH4.H2O/c1-7-14(17-8-2)20(5,6)18-19(3,4)13-9-11-16-12-10-15;;;;;/h8,14-15H,2,7,9-13H2,1,3-6H3;4*1H4;1H2.
What are the key properties of 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate?
2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate has a molecular weight of 402.77 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;methane;hydrate is sourced from PubChem (CID 158143243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).