trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane

C15H22OSi — CID 12510725

IUPACtrimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane
SMILESC[Si](C)(C)C1CCCC2(c3ccccc3)OC12
InChIInChI=1S/C15H22OSi/c1-17(2,3)13-10-7-11-15(14(13)16-15)12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3
InChIKeyUMEBJFXJJQDSSM-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.17
Rot. Bonds2

About trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane

trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane (PubChem CID 12510725) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane
PubChem CID12510725
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Nametrimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane
SMILESC[Si](C)(C)C1CCCC2(c3ccccc3)OC12
InChIInChI=1S/C15H22OSi/c1-17(2,3)13-10-7-11-15(14(13)16-15)12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3
InChIKeyUMEBJFXJJQDSSM-UHFFFAOYSA-N
XLogP4.17
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane?
The IUPAC name of trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane (CID 12510725) is trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane.
What is the SMILES notation for trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane?
The canonical SMILES for trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane is C[Si](C)(C)C1CCCC2(c3ccccc3)OC12.
What is the InChIKey of trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane?
The InChIKey is UMEBJFXJJQDSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-17(2,3)13-10-7-11-15(14(13)16-15)12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3.
What are the key properties of trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane?
trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane has a molecular weight of 246.43 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl)silane is sourced from PubChem (CID 12510725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).