3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile

C13H23NOSi — CID 135070351

IUPAC3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C#N)CCC1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14/h9,11H,6-8H2,1-5H3
InChIKeyPAFROROWARXARA-UHFFFAOYSA-N
MW237.42 g/mol
LogP4.22
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile

3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile (PubChem CID 135070351) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
PubChem CID135070351
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C#N)CCC1
InChIInChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14/h9,11H,6-8H2,1-5H3
InChIKeyPAFROROWARXARA-UHFFFAOYSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 54.22
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 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile (CID 135070351) is 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile is CC(C)(C)[Si](C)(C)OC1=CC(C#N)CCC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
The InChIKey is PAFROROWARXARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14/h9,11H,6-8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile?
3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile has a molecular weight of 237.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 135070351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).