2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile

C14H23NOSi — CID 11196013

IUPAC2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile
SMILESC=C(C)[C@@H]1CC=C(C(C#N)O[Si](C)(C)C)CC1
InChIInChI=1S/C14H23NOSi/c1-11(2)12-6-8-13(9-7-12)14(10-15)16-17(3,4)5/h8,12,14H,1,6-7,9H2,2-5H3/t12-,14?/m1/s1
InChIKeyGUNOCXSMBGWGII-PUODRLBUSA-N
MW249.43 g/mol
LogP4.03
Rot. Bonds4

About 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile

2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile (PubChem CID 11196013) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile
PubChem CID11196013
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile
SMILESC=C(C)[C@@H]1CC=C(C(C#N)O[Si](C)(C)C)CC1
InChIInChI=1S/C14H23NOSi/c1-11(2)12-6-8-13(9-7-12)14(10-15)16-17(3,4)5/h8,12,14H,1,6-7,9H2,2-5H3/t12-,14?/m1/s1
InChIKeyGUNOCXSMBGWGII-PUODRLBUSA-N
XLogP4.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
3-(3-Trimethylsilyloxycyclohex-2-en-1-yl)propanenitrile
CID 101793154
(1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile
CID 134886941
(3R)-5-[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpentanenitrile
CID 164668912
2-(6-Methylcyclohexen-1-yl)-2-trimethylsilyloxyacetonitrile
CID 20471672
2-(4-Methylidenecyclohexyl)-2-trimethylsilyloxyacetonitrile
CID 20471676
[3-({[Tri(propan-2-yl)silyl]oxy}methyl)cyclohex-3-en-1-yl]acetonitrile
CID 59735462
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 140847789
(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 173739589
2-[(1E)-cycloundecen-1-yl]-2-trimethylsilyloxyacetonitrile
CID 173841949
(5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 173852196
2-[(1E)-cyclodecen-1-yl]-2-trimethylsilyloxyacetonitrile
CID 173968007

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile (CID 11196013) is 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile is C=C(C)[C@@H]1CC=C(C(C#N)O[Si](C)(C)C)CC1.
What is the InChIKey of 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
The InChIKey is GUNOCXSMBGWGII-PUODRLBUSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-11(2)12-6-8-13(9-7-12)14(10-15)16-17(3,4)5/h8,12,14H,1,6-7,9H2,2-5H3/t12-,14?/m1/s1.
What are the key properties of 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile has a molecular weight of 249.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11196013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).