bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane

C22H44O8Si3 — CID 59882614

IUPACbis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)O[Si](C)(C)O[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C22H44O8Si3/c1-23-32(24-2,13-11-17-7-9-19-21(15-17)27-19)29-31(5,6)30-33(25-3,26-4)14-12-18-8-10-20-22(16-18)28-20/h17-22H,7-16H2,1-6H3
InChIKeyOQTXNUJYWLBWAW-UHFFFAOYSA-N
MW520.84 g/mol
LogP4.10
Rot. Bonds14

About bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane

bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane (PubChem CID 59882614) has the molecular formula C22H44O8Si3 and a molecular weight of 520.84 g/mol. Its IUPAC name is bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane.

Molecular Properties

Compound Namebis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
PubChem CID59882614
Molecular FormulaC22H44O8Si3
Molecular Weight520.84 g/mol
Exact Mass520.23
IUPAC Namebis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)O[Si](C)(C)O[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C22H44O8Si3/c1-23-32(24-2,13-11-17-7-9-19-21(15-17)27-19)29-31(5,6)30-33(25-3,26-4)14-12-18-8-10-20-22(16-18)28-20/h17-22H,7-16H2,1-6H3
InChIKeyOQTXNUJYWLBWAW-UHFFFAOYSA-N
XLogP4.10
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 101151102
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;3-trimethoxysilylpropane-1-thiol
CID 18692870
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616
[dimethyl(trimethylsilyloxy)silyl]oxy-[methoxy(dimethyl)silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 18710036
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
1,2,2-trimethoxyethenylsilane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 159596149
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
CID 160925202
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
[dimethyl(silyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 158590504

Frequently Asked Questions

What is the IUPAC name of bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane?
The IUPAC name of bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane (CID 59882614) is bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane.
What is the SMILES notation for bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane?
The canonical SMILES for bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane is CO[Si](CCC1CCC2OC2C1)(OC)O[Si](C)(C)O[Si](CCC1CCC2OC2C1)(OC)OC.
What is the InChIKey of bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane?
The InChIKey is OQTXNUJYWLBWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O8Si3/c1-23-32(24-2,13-11-17-7-9-19-21(15-17)27-19)29-31(5,6)30-33(25-3,26-4)14-12-18-8-10-20-22(16-18)28-20/h17-22H,7-16H2,1-6H3.
What are the key properties of bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane?
bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane has a molecular weight of 520.84 g/mol, XLogP of 4.10, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane is sourced from PubChem (CID 59882614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).