3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile

C16H29NOSi — CID 15180236

IUPAC3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)[Si](OC1=CC(C#N)CCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H29NOSi/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(10-16)11-17/h10,12-15H,7-9H2,1-6H3
InChIKeyDOQATIZTVCMRBO-UHFFFAOYSA-N
MW279.50 g/mol
LogP5.39
Rot. Bonds5

About 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile

3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile (PubChem CID 15180236) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
PubChem CID15180236
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Name3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)[Si](OC1=CC(C#N)CCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H29NOSi/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(10-16)11-17/h10,12-15H,7-9H2,1-6H3
InChIKeyDOQATIZTVCMRBO-UHFFFAOYSA-N
XLogP5.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(Trimethylsilyl)oxy]cyclohex-2-ene-1-carbonitrile
CID 12411514
3-(3-Trimethylsilyloxycyclohex-2-en-1-yl)propanenitrile
CID 101793154
3-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
CID 135070350
3-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
CID 135070351
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile
CID 135070619
2-[(E)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethenyl]pentanenitrile
CID 135070620
2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]heptanenitrile
CID 135070989
5-methyl-2-[[(1S)-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]methyl]hex-4-enenitrile
CID 166440692
4-[(Trimethylsilyl)oxy]cyclohex-3-ene-1-carbonitrile
CID 68527861
2-[Tert-butyl(dimethyl)silyl]oxy-6-ethenylcyclohexene-1-carbonitrile
CID 10635301
1-Tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
CID 15180237
2-[3-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile
CID 15414678

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile (CID 15180236) is 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile is CC(C)[Si](OC1=CC(C#N)CCC1)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
The InChIKey is DOQATIZTVCMRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(10-16)11-17/h10,12-15H,7-9H2,1-6H3.
What are the key properties of 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile has a molecular weight of 279.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 15180236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).