2-trimethylsilyloxyadamantane-2-carbonitrile

C14H23NOSi — CID 12701448

IUPAC2-trimethylsilyloxyadamantane-2-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,4-8H2,1-3H3
InChIKeyJQMQAMLLSKZELX-UHFFFAOYSA-N
MW249.43 g/mol
LogP3.56
Rot. Bonds2

About 2-trimethylsilyloxyadamantane-2-carbonitrile

2-trimethylsilyloxyadamantane-2-carbonitrile (PubChem CID 12701448) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is 2-trimethylsilyloxyadamantane-2-carbonitrile.

Molecular Properties

Compound Name2-trimethylsilyloxyadamantane-2-carbonitrile
PubChem CID12701448
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name2-trimethylsilyloxyadamantane-2-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,4-8H2,1-3H3
InChIKeyJQMQAMLLSKZELX-UHFFFAOYSA-N
XLogP3.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 53.56
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 2-trimethylsilyloxyadamantane-2-carbonitrile?
The IUPAC name of 2-trimethylsilyloxyadamantane-2-carbonitrile (CID 12701448) is 2-trimethylsilyloxyadamantane-2-carbonitrile.
What is the SMILES notation for 2-trimethylsilyloxyadamantane-2-carbonitrile?
The canonical SMILES for 2-trimethylsilyloxyadamantane-2-carbonitrile is C[Si](C)(C)OC1(C#N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-trimethylsilyloxyadamantane-2-carbonitrile?
The InChIKey is JQMQAMLLSKZELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-17(2,3)16-14(9-15)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,4-8H2,1-3H3.
What are the key properties of 2-trimethylsilyloxyadamantane-2-carbonitrile?
2-trimethylsilyloxyadamantane-2-carbonitrile has a molecular weight of 249.43 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyadamantane-2-carbonitrile is sourced from PubChem (CID 12701448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).