[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate

C14H26O4Si — CID 22292669

IUPAC[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate
SMILESCCO[Si](CC)(CCC1CCC2OC2C1)OC(C)=O
InChIInChI=1S/C14H26O4Si/c1-4-16-19(5-2,18-11(3)15)9-8-12-6-7-13-14(10-12)17-13/h12-14H,4-10H2,1-3H3
InChIKeyWDUOZWSXFPCHRS-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.01
Rot. Bonds7

About [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate

[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate (PubChem CID 22292669) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate.

Molecular Properties

Compound Name[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate
PubChem CID22292669
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate
SMILESCCO[Si](CC)(CCC1CCC2OC2C1)OC(C)=O
InChIInChI=1S/C14H26O4Si/c1-4-16-19(5-2,18-11(3)15)9-8-12-6-7-13-14(10-12)17-13/h12-14H,4-10H2,1-3H3
InChIKeyWDUOZWSXFPCHRS-UHFFFAOYSA-N
XLogP3.01
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.01
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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Related Compounds

triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
diethyl-(2-methoxyethoxy)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292663
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
CID 140841095
diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
CID 140618851
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616

Frequently Asked Questions

What is the IUPAC name of [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate?
The IUPAC name of [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate (CID 22292669) is [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate.
What is the SMILES notation for [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate?
The canonical SMILES for [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate is CCO[Si](CC)(CCC1CCC2OC2C1)OC(C)=O.
What is the InChIKey of [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate?
The InChIKey is WDUOZWSXFPCHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-4-16-19(5-2,18-11(3)15)9-8-12-6-7-13-14(10-12)17-13/h12-14H,4-10H2,1-3H3.
What are the key properties of [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate?
[ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate has a molecular weight of 286.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-ethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl] acetate is sourced from PubChem (CID 22292669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).