trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane

C20H36O7Si2 — CID 160925202

IUPACtrimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)OC.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C11H22O4Si.C9H14O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-10-13(11-2,12-3)9-7-5-4-6-8-9/h9-11H,4-8H2,1-3H3;4-8H,1-3H3
InChIKeySSNVOIBILADPBJ-UHFFFAOYSA-N
MW444.67 g/mol
LogP2.59
Rot. Bonds10

About trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane

trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane (PubChem CID 160925202) has the molecular formula C20H36O7Si2 and a molecular weight of 444.67 g/mol. Its IUPAC name is trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane.

Molecular Properties

Compound Nametrimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
PubChem CID160925202
Molecular FormulaC20H36O7Si2
Molecular Weight444.67 g/mol
Exact Mass444.20
IUPAC Nametrimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)OC.CO[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C11H22O4Si.C9H14O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-10-13(11-2,12-3)9-7-5-4-6-8-9/h9-11H,4-8H2,1-3H3;4-8H,1-3H3
InChIKeySSNVOIBILADPBJ-UHFFFAOYSA-N
XLogP2.59
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
The IUPAC name of trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane (CID 160925202) is trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane.
What is the SMILES notation for trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
The canonical SMILES for trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane is CO[Si](CCC1CCC2OC2C1)(OC)OC.CO[Si](OC)(OC)c1ccccc1.
What is the InChIKey of trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
The InChIKey is SSNVOIBILADPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si.C9H14O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-10-13(11-2,12-3)9-7-5-4-6-8-9/h9-11H,4-8H2,1-3H3;4-8H,1-3H3.
What are the key properties of trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane?
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane has a molecular weight of 444.67 g/mol, XLogP of 2.59, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane is sourced from PubChem (CID 160925202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).