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

C14H23NOSi — CID 11470691

IUPAC2-[(4R)-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?/m0/s1
InChIKeyGUNOCXSMBGWGII-NBFOIZRFSA-N
MW249.43 g/mol
LogP4.03
Rot. Bonds4

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

2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile (PubChem CID 11470691) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is 2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile
PubChem CID11470691
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name2-[(4R)-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?/m0/s1
InChIKeyGUNOCXSMBGWGII-NBFOIZRFSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile (CID 11470691) is 2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-[(4R)-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-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
The InChIKey is GUNOCXSMBGWGII-NBFOIZRFSA-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?/m0/s1.
What are the key properties of 2-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile?
2-[(4R)-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-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11470691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).