triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane

C14H28O4Si — CID 19366376

IUPACtriethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
SMILESCCO[Si](CCC12CCCCC1O2)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)12-11-14-10-8-7-9-13(14)18-14/h13H,4-12H2,1-3H3
InChIKeyIXRVAOPYCFSDGI-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.14
Rot. Bonds9

About triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane

triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane (PubChem CID 19366376) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
PubChem CID19366376
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nametriethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
SMILESCCO[Si](CCC12CCCCC1O2)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)12-11-14-10-8-7-9-13(14)18-14/h13H,4-12H2,1-3H3
InChIKeyIXRVAOPYCFSDGI-UHFFFAOYSA-N
XLogP3.14
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.14
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 triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The IUPAC name of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane (CID 19366376) is triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane is CCO[Si](CCC12CCCCC1O2)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The InChIKey is IXRVAOPYCFSDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)12-11-14-10-8-7-9-13(14)18-14/h13H,4-12H2,1-3H3.
What are the key properties of triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane has a molecular weight of 288.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane is sourced from PubChem (CID 19366376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).