(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile

C14H27NOSi — CID 134896006

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
SMILESC=C[C@H](CCC)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-8-10-12(9-2)13(11-15)16-17(6,7)14(3,4)5/h9,12-13H,2,8,10H2,1,3-7H3/t12-,13+/m1/s1
InChIKeyUIILMDDJMSVFNN-OLZOCXBDSA-N
MW253.46 g/mol
LogP4.50
Rot. Bonds6

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile (PubChem CID 134896006) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
PubChem CID134896006
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile
SMILESC=C[C@H](CCC)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-8-10-12(9-2)13(11-15)16-17(6,7)14(3,4)5/h9,12-13H,2,8,10H2,1,3-7H3/t12-,13+/m1/s1
InChIKeyUIILMDDJMSVFNN-OLZOCXBDSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
CID 134895955
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enenitrile
CID 134896031
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhept-6-enenitrile
CID 11026012
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile (CID 134896006) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile is C=C[C@H](CCC)[C@H](C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile?
The InChIKey is UIILMDDJMSVFNN-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-8-10-12(9-2)13(11-15)16-17(6,7)14(3,4)5/h9,12-13H,2,8,10H2,1,3-7H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanenitrile is sourced from PubChem (CID 134896006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).