[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane

C22H46O8Si4 — CID 140841095

IUPAC[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O)(O)CC[Si](O)(O)O[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C22H46O8Si4/c1-31(2,11-9-17-5-7-19-21(15-17)27-19)29-33(23,24)13-14-34(25,26)30-32(3,4)12-10-18-6-8-20-22(16-18)28-20/h17-26H,5-16H2,1-4H3
InChIKeyCJSXBHPMYYESRH-UHFFFAOYSA-N
MW550.95 g/mol
LogP3.19
Rot. Bonds13

About [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane

[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane (PubChem CID 140841095) has the molecular formula C22H46O8Si4 and a molecular weight of 550.95 g/mol. Its IUPAC name is [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane.

Molecular Properties

Compound Name[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
PubChem CID140841095
Molecular FormulaC22H46O8Si4
Molecular Weight550.95 g/mol
Exact Mass550.23
IUPAC Name[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O)(O)CC[Si](O)(O)O[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C22H46O8Si4/c1-31(2,11-9-17-5-7-19-21(15-17)27-19)29-33(23,24)13-14-34(25,26)30-32(3,4)12-10-18-6-8-20-22(16-18)28-20/h17-26H,5-16H2,1-4H3
InChIKeyCJSXBHPMYYESRH-UHFFFAOYSA-N
XLogP3.19
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.95
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane?
The IUPAC name of [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane (CID 140841095) is [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane.
What is the SMILES notation for [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane?
The canonical SMILES for [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane is C[Si](C)(CCC1CCC2OC2C1)O[Si](O)(O)CC[Si](O)(O)O[Si](C)(C)CCC1CCC2OC2C1.
What is the InChIKey of [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane?
The InChIKey is CJSXBHPMYYESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O8Si4/c1-31(2,11-9-17-5-7-19-21(15-17)27-19)29-33(23,24)13-14-34(25,26)30-32(3,4)12-10-18-6-8-20-22(16-18)28-20/h17-26H,5-16H2,1-4H3.
What are the key properties of [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane?
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane has a molecular weight of 550.95 g/mol, XLogP of 3.19, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane is sourced from PubChem (CID 140841095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).