triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane

C15H30O4Si — CID 22169296

IUPACtriethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)C1CCC2OC2C1
InChIInChI=1S/C15H30O4Si/c1-5-15(12-9-10-13-14(11-12)19-13)20(16-6-2,17-7-3)18-8-4/h12-15H,5-11H2,1-4H3
InChIKeyZPNGLZOSJZCKOR-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.38
Rot. Bonds9

About triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane

triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane (PubChem CID 22169296) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
PubChem CID22169296
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nametriethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)C1CCC2OC2C1
InChIInChI=1S/C15H30O4Si/c1-5-15(12-9-10-13-14(11-12)19-13)20(16-6-2,17-7-3)18-8-4/h12-15H,5-11H2,1-4H3
InChIKeyZPNGLZOSJZCKOR-UHFFFAOYSA-N
XLogP3.38
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.38
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-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane?
The IUPAC name of triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane (CID 22169296) is triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane.
What is the SMILES notation for triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane?
The canonical SMILES for triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane is CCO[Si](OCC)(OCC)C(CC)C1CCC2OC2C1.
What is the InChIKey of triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane?
The InChIKey is ZPNGLZOSJZCKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-5-15(12-9-10-13-14(11-12)19-13)20(16-6-2,17-7-3)18-8-4/h12-15H,5-11H2,1-4H3.
What are the key properties of triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane?
triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane has a molecular weight of 302.49 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silane is sourced from PubChem (CID 22169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).