6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane

C13H26O2Si2 — CID 174778513

IUPAC6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane
SMILESCCC1CC2CC1C1=C2O1.C[SiH2]O[Si](C)(C)C
InChIInChI=1S/C9H12O.C4H14OSi2/c1-2-5-3-6-4-7(5)9-8(6)10-9;1-6-5-7(2,3)4/h5-7H,2-4H2,1H3;6H2,1-4H3
InChIKeyJMKVCYWMNVTEKN-UHFFFAOYSA-N
MW270.52 g/mol
LogP3.26
Rot. Bonds3

About 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane

6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane (PubChem CID 174778513) has the molecular formula C13H26O2Si2 and a molecular weight of 270.52 g/mol. Its IUPAC name is 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane.

Molecular Properties

Compound Name6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane
PubChem CID174778513
Molecular FormulaC13H26O2Si2
Molecular Weight270.52 g/mol
Exact Mass270.15
IUPAC Name6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane
SMILESCCC1CC2CC1C1=C2O1.C[SiH2]O[Si](C)(C)C
InChIInChI=1S/C9H12O.C4H14OSi2/c1-2-5-3-6-4-7(5)9-8(6)10-9;1-6-5-7(2,3)4/h5-7H,2-4H2,1H3;6H2,1-4H3
InChIKeyJMKVCYWMNVTEKN-UHFFFAOYSA-N
XLogP3.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane?
The IUPAC name of 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane (CID 174778513) is 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane.
What is the SMILES notation for 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane?
The canonical SMILES for 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane is CCC1CC2CC1C1=C2O1.C[SiH2]O[Si](C)(C)C.
What is the InChIKey of 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane?
The InChIKey is JMKVCYWMNVTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C4H14OSi2/c1-2-5-3-6-4-7(5)9-8(6)10-9;1-6-5-7(2,3)4/h5-7H,2-4H2,1H3;6H2,1-4H3.
What are the key properties of 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane?
6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane has a molecular weight of 270.52 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene;trimethyl(methylsilyloxy)silane is sourced from PubChem (CID 174778513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).