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

C11H22OSi — CID 14598094

IUPACtrimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESC[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C11H22OSi/c1-13(2,3)7-6-9-4-5-10-11(8-9)12-10/h9-11H,4-8H2,1-3H3
InChIKeyPEXYOZSKYQBQIH-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.28
Rot. Bonds3

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

trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 14598094) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID14598094
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Nametrimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESC[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C11H22OSi/c1-13(2,3)7-6-9-4-5-10-11(8-9)12-10/h9-11H,4-8H2,1-3H3
InChIKeyPEXYOZSKYQBQIH-UHFFFAOYSA-N
XLogP3.28
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 14598094) is trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is C[Si](C)(C)CCC1CCC2OC2C1.
What is the InChIKey of trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is PEXYOZSKYQBQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-13(2,3)7-6-9-4-5-10-11(8-9)12-10/h9-11H,4-8H2,1-3H3.
What are the key properties of trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 198.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 14598094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).