diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C13H26O2Si — CID 22292681

IUPACdiethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCC[Si](CC)(CCC1CCC2OC2C1)OC
InChIInChI=1S/C13H26O2Si/c1-4-16(5-2,14-3)9-8-11-6-7-12-13(10-11)15-12/h11-13H,4-10H2,1-3H3
InChIKeyLKZLQNPMYAFYFM-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.58
Rot. Bonds6

About diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 22292681) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Namediethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID22292681
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namediethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCC[Si](CC)(CCC1CCC2OC2C1)OC
InChIInChI=1S/C13H26O2Si/c1-4-16(5-2,14-3)9-8-11-6-7-12-13(10-11)15-12/h11-13H,4-10H2,1-3H3
InChIKeyLKZLQNPMYAFYFM-UHFFFAOYSA-N
XLogP3.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 22292681) is diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CC[Si](CC)(CCC1CCC2OC2C1)OC.
What is the InChIKey of diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is LKZLQNPMYAFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-4-16(5-2,14-3)9-8-11-6-7-12-13(10-11)15-12/h11-13H,4-10H2,1-3H3.
What are the key properties of diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 242.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 22292681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).