(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile

C12H21NOSi — CID 101146317

IUPAC(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@](C#N)(O[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C12H21NOSi/c1-12(10-13,14-15(2,3)4)11-8-6-5-7-9-11/h8H,5-7,9H2,1-4H3/t12-/m1/s1
InChIKeyPFDXRXZWFCAYJH-GFCCVEGCSA-N
MW223.39 g/mol
LogP3.62
Rot. Bonds3

About (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile

(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile (PubChem CID 101146317) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile
PubChem CID101146317
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@](C#N)(O[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C12H21NOSi/c1-12(10-13,14-15(2,3)4)11-8-6-5-7-9-11/h8H,5-7,9H2,1-4H3/t12-/m1/s1
InChIKeyPFDXRXZWFCAYJH-GFCCVEGCSA-N
XLogP3.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.62
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 (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile (CID 101146317) is (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile is C[C@](C#N)(O[Si](C)(C)C)C1=CCCCC1.
What is the InChIKey of (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is PFDXRXZWFCAYJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-12(10-13,14-15(2,3)4)11-8-6-5-7-9-11/h8H,5-7,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile?
(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 223.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 101146317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).