2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile

C12H23NOSi — CID 131741972

IUPAC2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile
SMILESCC1CCC(C)(C)C1(C#N)O[Si](C)(C)C
InChIInChI=1S/C12H23NOSi/c1-10-7-8-11(2,3)12(10,9-13)14-15(4,5)6/h10H,7-8H2,1-6H3
InChIKeyIBTQHZLXPWMAHC-UHFFFAOYSA-N
MW225.41 g/mol
LogP3.56
Rot. Bonds2

About 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile

2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile (PubChem CID 131741972) has the molecular formula C12H23NOSi and a molecular weight of 225.41 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile
PubChem CID131741972
Molecular FormulaC12H23NOSi
Molecular Weight225.41 g/mol
Exact Mass225.15
IUPAC Name2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile
SMILESCC1CCC(C)(C)C1(C#N)O[Si](C)(C)C
InChIInChI=1S/C12H23NOSi/c1-10-7-8-11(2,3)12(10,9-13)14-15(4,5)6/h10H,7-8H2,1-6H3
InChIKeyIBTQHZLXPWMAHC-UHFFFAOYSA-N
XLogP3.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
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 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile?
The IUPAC name of 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile (CID 131741972) is 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile.
What is the SMILES notation for 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile?
The canonical SMILES for 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile is CC1CCC(C)(C)C1(C#N)O[Si](C)(C)C.
What is the InChIKey of 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile?
The InChIKey is IBTQHZLXPWMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOSi/c1-10-7-8-11(2,3)12(10,9-13)14-15(4,5)6/h10H,7-8H2,1-6H3.
What are the key properties of 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile?
2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile has a molecular weight of 225.41 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 2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile is sourced from PubChem (CID 131741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).