[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate

C14H23NOSiTe — CID 10248995

IUPAC[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2[Te]C#N
InChIInChI=1S/C14H23NOSiTe/c1-13(2)10-7-8-14(13,3)12(11(10)18-9-15)16-17(4,5)6/h10H,7-8H2,1-6H3/t10-,14+/m1/s1
InChIKeyBJSDTOVFKVRBPJ-YGRLFVJLSA-N
MW377.03 g/mol
LogP3.69
Rot. Bonds3

About [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate

[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate (PubChem CID 10248995) has the molecular formula C14H23NOSiTe and a molecular weight of 377.03 g/mol. Its IUPAC name is [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate.

Molecular Properties

Compound Name[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate
PubChem CID10248995
Molecular FormulaC14H23NOSiTe
Molecular Weight377.03 g/mol
Exact Mass379.06
IUPAC Name[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2[Te]C#N
InChIInChI=1S/C14H23NOSiTe/c1-13(2)10-7-8-14(13,3)12(11(10)18-9-15)16-17(4,5)6/h10H,7-8H2,1-6H3/t10-,14+/m1/s1
InChIKeyBJSDTOVFKVRBPJ-YGRLFVJLSA-N
XLogP3.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate?
The IUPAC name of [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate (CID 10248995) is [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate.
What is the SMILES notation for [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate?
The canonical SMILES for [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate is CC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2[Te]C#N.
What is the InChIKey of [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate?
The InChIKey is BJSDTOVFKVRBPJ-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H23NOSiTe/c1-13(2)10-7-8-14(13,3)12(11(10)18-9-15)16-17(4,5)6/h10H,7-8H2,1-6H3/t10-,14+/m1/s1.
What are the key properties of [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate?
[(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate has a molecular weight of 377.03 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl] tellurocyanate is sourced from PubChem (CID 10248995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).