3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile

C16H25NO2Si — CID 125490049

IUPAC3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile
SMILESC#C[C@@](O[Si](CC)(CC)CC)(C1CC1)C1(C#N)COC1
InChIInChI=1S/C16H25NO2Si/c1-5-16(14-9-10-14,15(11-17)12-18-13-15)19-20(6-2,7-3)8-4/h1,14H,6-10,12-13H2,2-4H3/t16-/m1/s1
InChIKeyKGLLUSVYAKDKEG-MRXNPFEDSA-N
MW291.47 g/mol
LogP3.33
Rot. Bonds7

About 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile

3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile (PubChem CID 125490049) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile
PubChem CID125490049
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile
SMILESC#C[C@@](O[Si](CC)(CC)CC)(C1CC1)C1(C#N)COC1
InChIInChI=1S/C16H25NO2Si/c1-5-16(14-9-10-14,15(11-17)12-18-13-15)19-20(6-2,7-3)8-4/h1,14H,6-10,12-13H2,2-4H3/t16-/m1/s1
InChIKeyKGLLUSVYAKDKEG-MRXNPFEDSA-N
XLogP3.33
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-triethylsilyloxybut-3-yn-2-yl]oxetane-3-carbonitrile
CID 125490091
3-[(3S)-3-hydroxy-4-methylpent-1-yn-3-yl]oxetane-3-carbonitrile
CID 125490016
1-[(1S)-1-cyclopropyl-1-hydroxyprop-2-ynyl]cyclopropane-1-carbonitrile
CID 125472340
1-cyclopentyl-1-triethylsilyloxyethanol
CID 67725511
2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile
CID 101440699
3-(3-hydroxypentan-3-yl)oxolane-3-carbonitrile
CID 79129601
2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile
CID 59396415
1-[(3R)-3-hydroxyhex-1-yn-3-yl]cyclobutane-1-carbonitrile
CID 125470078
3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
CID 177439553
4-cyclopropylhept-1-yn-4-yloxy(trimethyl)silane
CID 54222513
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248258
2,2-dicyclohexyl-2-triethylsilyloxyacetaldehyde
CID 102401916

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile (CID 125490049) is 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile is C#C[C@@](O[Si](CC)(CC)CC)(C1CC1)C1(C#N)COC1.
What is the InChIKey of 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile?
The InChIKey is KGLLUSVYAKDKEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-5-16(14-9-10-14,15(11-17)12-18-13-15)19-20(6-2,7-3)8-4/h1,14H,6-10,12-13H2,2-4H3/t16-/m1/s1.
What are the key properties of 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile?
3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile has a molecular weight of 291.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-cyclopropyl-1-triethylsilyloxyprop-2-ynyl]oxetane-3-carbonitrile is sourced from PubChem (CID 125490049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).