cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile

C17H25NOSi — CID 11781176

IUPACcis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@]1(C#N)c1ccccc1
InChIInChI=1S/C17H25NOSi/c1-16(2,3)20(4,5)19-12-15-11-17(15,13-18)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3/t15-,17+/m0/s1
InChIKeyCXLPSRIPAZMMFC-DOTOQJQBSA-N
MW287.48 g/mol
LogP4.49
Rot. Bonds4

About cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile

cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile (PubChem CID 11781176) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
PubChem CID11781176
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Namecis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@]1(C#N)c1ccccc1
InChIInChI=1S/C17H25NOSi/c1-16(2,3)20(4,5)19-12-15-11-17(15,13-18)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3/t15-,17+/m0/s1
InChIKeyCXLPSRIPAZMMFC-DOTOQJQBSA-N
XLogP4.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 54.49
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

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
trans-(1S,2S)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carbonitrile
CID 58725201
cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
CID 71526849
tert-butyl-[[(2S,5R)-3,5-dimethyl-5-phenyl-2H-furan-2-yl]methoxy]-dimethylsilane
CID 134944366
(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
CID 10970803
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[[(2S,5R,7S,10S)-1,11-diphenyl-18-oxapentacyclo[9.6.1.02,10.05,7.012,17]octadeca-12,14,16-trien-6-yl]methoxy]-dimethylsilane
CID 132937477
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile
CID 10577122
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704
2-methyl-1-phenylcyclobutane-1-carbonitrile
CID 23294917
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile (CID 11781176) is cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@]1(C#N)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile?
The InChIKey is CXLPSRIPAZMMFC-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-16(2,3)20(4,5)19-12-15-11-17(15,13-18)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3/t15-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile?
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile has a molecular weight of 287.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 11781176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).