5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile

C20H32N2O2Si — CID 160886295

IUPAC5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C(C#N)C1.N#CC1=CCCC(O)C1
InChIInChI=1S/C13H23NOSi.C7H9NO/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14;8-5-6-2-1-3-7(9)4-6/h7,12H,6,8-9H2,1-5H3;2,7,9H,1,3-4H2
InChIKeySNRHJQWSGGEUOH-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.99
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile

5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile (PubChem CID 160886295) has the molecular formula C20H32N2O2Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile
PubChem CID160886295
Molecular FormulaC20H32N2O2Si
Molecular Weight360.57 g/mol
Exact Mass360.22
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C(C#N)C1.N#CC1=CCCC(O)C1
InChIInChI=1S/C13H23NOSi.C7H9NO/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14;8-5-6-2-1-3-7(9)4-6/h7,12H,6,8-9H2,1-5H3;2,7,9H,1,3-4H2
InChIKeySNRHJQWSGGEUOH-UHFFFAOYSA-N
XLogP4.99
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
CID 102012979
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10499170
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
CID 68733627
[(1R,3E,6S)-3-butan-2-yl-6-[tert-butyl(dimethyl)silyl]oxycyclooct-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10906055
5-(hydroxymethyl)cyclohexene-1-carbonitrile
CID 123956742

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile (CID 160886295) is 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile is CC(C)(C)[Si](C)(C)OC1CCC=C(C#N)C1.N#CC1=CCCC(O)C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile?
The InChIKey is SNRHJQWSGGEUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi.C7H9NO/c1-13(2,3)16(4,5)15-12-8-6-7-11(9-12)10-14;8-5-6-2-1-3-7(9)4-6/h7,12H,6,8-9H2,1-5H3;2,7,9H,1,3-4H2.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile?
5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile has a molecular weight of 360.57 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile is sourced from PubChem (CID 160886295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).