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

C11H22O4Si — CID 18819

IUPACtrimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
InChIKeyDQZNLOXENNXVAD-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.82
Rot. Bonds6

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

trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 18819) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID18819
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nametrimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
InChIKeyDQZNLOXENNXVAD-UHFFFAOYSA-N
XLogP1.82
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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?
The IUPAC name of trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 18819) is trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CO[Si](CCC1CCC2OC2C1)(OC)OC.
What is the InChIKey of trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is DQZNLOXENNXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3.
What are the key properties of trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 246.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 18819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).