(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile

C25H33NO2Si — CID 66918652

IUPAC(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile
SMILESCC(C)O[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C#N
InChIInChI=1S/C25H33NO2Si/c1-19(2)27-24-17-21(16-20(24)18-26)28-29(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21,24H,16-17H2,1-5H3/t20-,21-,24+/m1/s1
InChIKeyGPTVSWWLTOVZQU-LGVFNWMJSA-N
MW407.63 g/mol
LogP4.66
Rot. Bonds6

About (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile

(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile (PubChem CID 66918652) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile
PubChem CID66918652
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Name(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile
SMILESCC(C)O[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C#N
InChIInChI=1S/C25H33NO2Si/c1-19(2)27-24-17-21(16-20(24)18-26)28-29(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21,24H,16-17H2,1-5H3/t20-,21-,24+/m1/s1
InChIKeyGPTVSWWLTOVZQU-LGVFNWMJSA-N
XLogP4.66
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
2-[1-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]ethyl]cyclopropane-1-carbonitrile
CID 169181451
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile?
The IUPAC name of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile (CID 66918652) is (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile.
What is the SMILES notation for (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile?
The canonical SMILES for (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile is CC(C)O[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C#N.
What is the InChIKey of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile?
The InChIKey is GPTVSWWLTOVZQU-LGVFNWMJSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-19(2)27-24-17-21(16-20(24)18-26)28-29(25(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21,24H,16-17H2,1-5H3/t20-,21-,24+/m1/s1.
What are the key properties of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile?
(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile has a molecular weight of 407.63 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-propan-2-yloxycyclopentane-1-carbonitrile is sourced from PubChem (CID 66918652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).