2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile

C19H21NOSi — CID 13199261

IUPAC2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NOSi/c1-22(2,3)21-18(15-20)14-19(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14H2,1-3H3
InChIKeyXSTVOOCVLHJBBP-UHFFFAOYSA-N
MW307.47 g/mol
LogP4.49
Rot. Bonds4

About 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile

2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile (PubChem CID 13199261) has the molecular formula C19H21NOSi and a molecular weight of 307.47 g/mol. Its IUPAC name is 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
PubChem CID13199261
Molecular FormulaC19H21NOSi
Molecular Weight307.47 g/mol
Exact Mass307.14
IUPAC Name2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NOSi/c1-22(2,3)21-18(15-20)14-19(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14H2,1-3H3
InChIKeyXSTVOOCVLHJBBP-UHFFFAOYSA-N
XLogP4.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
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

trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
CID 10924629
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
(1-cyano-2-methyl-2-phenylcyclopropyl) acetate
CID 539178
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149
[(1S,2S)-1-methoxy-2-phenyl-2-propan-2-ylcyclopropyl]oxy-trimethylsilane
CID 10378846
cis-(1R,2S)-2-phenyl-1-propan-2-yl-2-trimethylsilyloxycyclopropan-1-ol
CID 10956424
3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
CID 101094034
1,8-diphenyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,9,10,10-tetracarbonitrile
CID 15197828
1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile
CID 122202882
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
CID 159886663

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile?
The IUPAC name of 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile (CID 13199261) is 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile?
The canonical SMILES for 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile is C[Si](C)(C)OC1(C#N)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile?
The InChIKey is XSTVOOCVLHJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOSi/c1-22(2,3)21-18(15-20)14-19(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14H2,1-3H3.
What are the key properties of 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile?
2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile has a molecular weight of 307.47 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 2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile is sourced from PubChem (CID 13199261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).