trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane

C12H20OSi — CID 134884790

IUPACtrimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@]12CCCCC[C@H]1O2
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12-8-6-4-5-7-11(12)13-12/h11H,4-8H2,1-3H3/t11-,12-/m1/s1
InChIKeyFQUUKSFPNGQLBI-VXGBXAGGSA-N
MW208.38 g/mol
LogP2.97
Rot. Bonds

About trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane

trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane (PubChem CID 134884790) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane
PubChem CID134884790
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Nametrimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@]12CCCCC[C@H]1O2
InChIInChI=1S/C12H20OSi/c1-14(2,3)10-9-12-8-6-4-5-7-11(12)13-12/h11H,4-8H2,1-3H3/t11-,12-/m1/s1
InChIKeyFQUUKSFPNGQLBI-VXGBXAGGSA-N
XLogP2.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.97
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane (CID 134884790) is trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane is C[Si](C)(C)C#C[C@]12CCCCC[C@H]1O2.
What is the InChIKey of trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane?
The InChIKey is FQUUKSFPNGQLBI-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)10-9-12-8-6-4-5-7-11(12)13-12/h11H,4-8H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane?
trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane has a molecular weight of 208.38 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(1R,7R)-8-oxabicyclo[5.1.0]octan-1-yl]ethynyl]silane is sourced from PubChem (CID 134884790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).