(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile

C12H25NOSi — CID 11009699

IUPAC(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
SMILESCC(C#N)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NOSi/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h10-11H,8H2,1-7H3/t10?,11-/m0/s1
InChIKeyCKJHCJRVUNEJSW-DTIOYNMSSA-N
MW227.42 g/mol
LogP3.95
Rot. Bonds4

About (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile

(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile (PubChem CID 11009699) has the molecular formula C12H25NOSi and a molecular weight of 227.42 g/mol. Its IUPAC name is (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile.

Molecular Properties

Compound Name(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
PubChem CID11009699
Molecular FormulaC12H25NOSi
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
SMILESCC(C#N)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NOSi/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h10-11H,8H2,1-7H3/t10?,11-/m0/s1
InChIKeyCKJHCJRVUNEJSW-DTIOYNMSSA-N
XLogP3.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.95
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

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
CID 154722181
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyano-2-propan-2-ylbutanoic acid
CID 87076440
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile?
The IUPAC name of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile (CID 11009699) is (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile.
What is the SMILES notation for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile?
The canonical SMILES for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile is CC(C#N)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile?
The InChIKey is CKJHCJRVUNEJSW-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H25NOSi/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h10-11H,8H2,1-7H3/t10?,11-/m0/s1.
What are the key properties of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile?
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile has a molecular weight of 227.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile is sourced from PubChem (CID 11009699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).