(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile

C21H27NOSi — CID 71732954

IUPAC(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
SMILESC[C@H](CC#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27NOSi/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15,17H2,1-4H3/t18-/m1/s1
InChIKeyVEQRSALCUYZITO-GOSISDBHSA-N
MW337.54 g/mol
LogP4.11
Rot. Bonds6

About (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile

(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile (PubChem CID 71732954) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile.

Molecular Properties

Compound Name(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
PubChem CID71732954
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
SMILESC[C@H](CC#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H27NOSi/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15,17H2,1-4H3/t18-/m1/s1
InChIKeyVEQRSALCUYZITO-GOSISDBHSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
The IUPAC name of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile (CID 71732954) is (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile.
What is the SMILES notation for (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
The canonical SMILES for (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile is C[C@H](CC#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
The InChIKey is VEQRSALCUYZITO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-18(15-16-22)17-23-24(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15,17H2,1-4H3/t18-/m1/s1.
What are the key properties of (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile?
(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile has a molecular weight of 337.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile is sourced from PubChem (CID 71732954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).