2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile

C14H25NOSi — CID 68733627

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=CC#N)CC1
InChIInChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h10,13H,6-9H2,1-5H3/b12-10-
InChIKeyZANOFFBUPWBMDD-BENRWUELSA-N
MW251.45 g/mol
LogP4.40
Rot. Bonds2

About 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile

2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile (PubChem CID 68733627) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
PubChem CID68733627
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=CC#N)CC1
InChIInChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h10,13H,6-9H2,1-5H3/b12-10-
InChIKeyZANOFFBUPWBMDD-BENRWUELSA-N
XLogP4.40
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile (CID 68733627) is 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile is CC(C)(C)[Si](C)(C)OC1CCC(=CC#N)CC1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile?
The InChIKey is ZANOFFBUPWBMDD-BENRWUELSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h10,13H,6-9H2,1-5H3/b12-10-.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile?
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile has a molecular weight of 251.45 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile is sourced from PubChem (CID 68733627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).