dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane

C22H36O6Si — CID 162215767

IUPACdimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane
SMILESCO[Si](C)(OC)OC(C1CCC2OC2C1)(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C22H36O6Si/c1-23-29(3,24-2)28-22(13-4-7-16-19(10-13)25-16,14-5-8-17-20(11-14)26-17)15-6-9-18-21(12-15)27-18/h13-21H,4-12H2,1-3H3
InChIKeyZTLFCUZLBGJSGV-UHFFFAOYSA-N
MW424.61 g/mol
LogP3.31
Rot. Bonds7

About dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane

dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane (PubChem CID 162215767) has the molecular formula C22H36O6Si and a molecular weight of 424.61 g/mol. Its IUPAC name is dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane
PubChem CID162215767
Molecular FormulaC22H36O6Si
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC Namedimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane
SMILESCO[Si](C)(OC)OC(C1CCC2OC2C1)(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C22H36O6Si/c1-23-29(3,24-2)28-22(13-4-7-16-19(10-13)25-16,14-5-8-17-20(11-14)26-17)15-6-9-18-21(12-15)27-18/h13-21H,4-12H2,1-3H3
InChIKeyZTLFCUZLBGJSGV-UHFFFAOYSA-N
XLogP3.31
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane?
The IUPAC name of dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane (CID 162215767) is dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane.
What is the SMILES notation for dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane?
The canonical SMILES for dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane is CO[Si](C)(OC)OC(C1CCC2OC2C1)(C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane?
The InChIKey is ZTLFCUZLBGJSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O6Si/c1-23-29(3,24-2)28-22(13-4-7-16-19(10-13)25-16,14-5-8-17-20(11-14)26-17)15-6-9-18-21(12-15)27-18/h13-21H,4-12H2,1-3H3.
What are the key properties of dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane?
dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane has a molecular weight of 424.61 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[tris(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]silane is sourced from PubChem (CID 162215767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).