(3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile

C16H31NO2Si — CID 71500581

IUPAC(3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile
SMILESC[C@@H](CC#N)CC[C@H]1O[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO2Si/c1-13(10-11-17)8-9-14-16(5,19-14)12-18-20(6,7)15(2,3)4/h13-14H,8-10,12H2,1-7H3/t13-,14-,16-/m1/s1
InChIKeyPWQUDYZDCXQOHN-IIAWOOMASA-N
MW297.52 g/mol
LogP4.50
Rot. Bonds7

About (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile

(3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile (PubChem CID 71500581) has the molecular formula C16H31NO2Si and a molecular weight of 297.52 g/mol. Its IUPAC name is (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile.

Molecular Properties

Compound Name(3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile
PubChem CID71500581
Molecular FormulaC16H31NO2Si
Molecular Weight297.52 g/mol
Exact Mass297.21
IUPAC Name(3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile
SMILESC[C@@H](CC#N)CC[C@H]1O[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO2Si/c1-13(10-11-17)8-9-14-16(5,19-14)12-18-20(6,7)15(2,3)4/h13-14H,8-10,12H2,1-7H3/t13-,14-,16-/m1/s1
InChIKeyPWQUDYZDCXQOHN-IIAWOOMASA-N
XLogP4.50
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,3S)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyanopropyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]butanenitrile
CID 71725635
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
[(2S,3S)-3-[(3S)-3,5-dimethylhexyl]-2-methyloxiran-2-yl]methanol
CID 11790226
tert-butyl-[[(4R,5R)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 56600497
2-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]ethanol
CID 10883341
[(2R,3R)-2-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]hexan-3-yl] methanesulfonate
CID 101052069
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]acetonitrile
CID 15511184
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11336259
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile?
The IUPAC name of (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile (CID 71500581) is (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile.
What is the SMILES notation for (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile?
The canonical SMILES for (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile is C[C@@H](CC#N)CC[C@H]1O[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile?
The InChIKey is PWQUDYZDCXQOHN-IIAWOOMASA-N. The full InChI is InChI=1S/C16H31NO2Si/c1-13(10-11-17)8-9-14-16(5,19-14)12-18-20(6,7)15(2,3)4/h13-14H,8-10,12H2,1-7H3/t13-,14-,16-/m1/s1.
What are the key properties of (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile?
(3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile has a molecular weight of 297.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-3-methylpentanenitrile is sourced from PubChem (CID 71500581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).