2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile

C22H29NOSi — CID 135070685

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29NOSi/c1-18(2)19(16-23)17-24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,17H2,1-5H3
InChIKeyOJABXLQKRWJBEM-UHFFFAOYSA-N
MW351.57 g/mol
LogP4.36
Rot. Bonds6

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile (PubChem CID 135070685) has the molecular formula C22H29NOSi and a molecular weight of 351.57 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
PubChem CID135070685
Molecular FormulaC22H29NOSi
Molecular Weight351.57 g/mol
Exact Mass351.20
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H29NOSi/c1-18(2)19(16-23)17-24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,17H2,1-5H3
InChIKeyOJABXLQKRWJBEM-UHFFFAOYSA-N
XLogP4.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 54.36
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

4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
CID 101378992
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile (CID 135070685) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile is CC(C)C(C#N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile?
The InChIKey is OJABXLQKRWJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOSi/c1-18(2)19(16-23)17-24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,17H2,1-5H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile has a molecular weight of 351.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile is sourced from PubChem (CID 135070685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).