diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane

C10H20O3Si — CID 123519545

IUPACdiethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane
SMILESCCO[SiH](OCC)C1CCC2OC2C1
InChIInChI=1S/C10H20O3Si/c1-3-11-14(12-4-2)8-5-6-9-10(7-8)13-9/h8-10,14H,3-7H2,1-2H3
InChIKeyPUVXGZBNJJXUSU-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.60
Rot. Bonds5

About diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane

diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane (PubChem CID 123519545) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane.

Molecular Properties

Compound Namediethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane
PubChem CID123519545
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namediethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane
SMILESCCO[SiH](OCC)C1CCC2OC2C1
InChIInChI=1S/C10H20O3Si/c1-3-11-14(12-4-2)8-5-6-9-10(7-8)13-9/h8-10,14H,3-7H2,1-2H3
InChIKeyPUVXGZBNJJXUSU-UHFFFAOYSA-N
XLogP1.60
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane?
The IUPAC name of diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane (CID 123519545) is diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane.
What is the SMILES notation for diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane?
The canonical SMILES for diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane is CCO[SiH](OCC)C1CCC2OC2C1.
What is the InChIKey of diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane?
The InChIKey is PUVXGZBNJJXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-3-11-14(12-4-2)8-5-6-9-10(7-8)13-9/h8-10,14H,3-7H2,1-2H3.
What are the key properties of diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane?
diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane has a molecular weight of 216.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(7-oxabicyclo[4.1.0]heptan-3-yl)silane is sourced from PubChem (CID 123519545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).