tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile

C33H52N4O2Si2 — CID 158430203

IUPACtert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H]1C[C@]1(C#N)c1ccccn1.N#C[C@]1(c2ccccn2)C[C@@H]1CO
InChIInChI=1S/C16H24N2OSi.C10H10N2O.C7H18Si/c1-15(2,3)20(4,5)19-11-13-10-16(13,12-17)14-8-6-7-9-18-14;11-7-10(5-8(10)6-13)9-3-1-2-4-12-9;1-7(2,3)8(4,5)6/h6-9,13H,10-11H2,1-5H3;1-4,8,13H,5-6H2;1-6H3/t13-,16-;8-,10-;/m11./s1
InChIKeyHBOGRSIRXHAQRJ-HMBBCKSESA-N
MW592.98 g/mol
LogP7.86
Rot. Bonds6

About tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile

tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile (PubChem CID 158430203) has the molecular formula C33H52N4O2Si2 and a molecular weight of 592.98 g/mol. Its IUPAC name is tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile
PubChem CID158430203
Molecular FormulaC33H52N4O2Si2
Molecular Weight592.98 g/mol
Exact Mass592.36
IUPAC Nametert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H]1C[C@]1(C#N)c1ccccn1.N#C[C@]1(c2ccccn2)C[C@@H]1CO
InChIInChI=1S/C16H24N2OSi.C10H10N2O.C7H18Si/c1-15(2,3)20(4,5)19-11-13-10-16(13,12-17)14-8-6-7-9-18-14;11-7-10(5-8(10)6-13)9-3-1-2-4-12-9;1-7(2,3)8(4,5)6/h6-9,13H,10-11H2,1-5H3;1-4,8,13H,5-6H2;1-6H3/t13-,16-;8-,10-;/m11./s1
InChIKeyHBOGRSIRXHAQRJ-HMBBCKSESA-N
XLogP7.86
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.98
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile?
The IUPAC name of tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile (CID 158430203) is tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile?
The canonical SMILES for tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile is CC(C)(C)[Si](C)(C)C.CC(C)(C)[Si](C)(C)OC[C@H]1C[C@]1(C#N)c1ccccn1.N#C[C@]1(c2ccccn2)C[C@@H]1CO.
What is the InChIKey of tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile?
The InChIKey is HBOGRSIRXHAQRJ-HMBBCKSESA-N. The full InChI is InChI=1S/C16H24N2OSi.C10H10N2O.C7H18Si/c1-15(2,3)20(4,5)19-11-13-10-16(13,12-17)14-8-6-7-9-18-14;11-7-10(5-8(10)6-13)9-3-1-2-4-12-9;1-7(2,3)8(4,5)6/h6-9,13H,10-11H2,1-5H3;1-4,8,13H,5-6H2;1-6H3/t13-,16-;8-,10-;/m11./s1.
What are the key properties of tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile?
tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile has a molecular weight of 592.98 g/mol, XLogP of 7.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(trimethyl)silane;cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-pyridin-2-ylcyclopropane-1-carbonitrile;cis-(1R,2S)-2-(hydroxymethyl)-1-pyridin-2-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 158430203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).