(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile

C14H27NOSi — CID 134895980

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile
SMILESC=C[C@H](C(C)C)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-9-12(11(2)3)13(10-15)16-17(7,8)14(4,5)6/h9,11-13H,1H2,2-8H3/t12-,13+/m1/s1
InChIKeyJSZJRIREIJVYEN-OLZOCXBDSA-N
MW253.46 g/mol
LogP4.36
Rot. Bonds5

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile (PubChem CID 134895980) 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-propan-2-ylpent-4-enenitrile.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile
PubChem CID134895980
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile
SMILESC=C[C@H](C(C)C)[C@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NOSi/c1-9-12(11(2)3)13(10-15)16-17(7,8)14(4,5)6/h9,11-13H,1H2,2-8H3/t12-,13+/m1/s1
InChIKeyJSZJRIREIJVYEN-OLZOCXBDSA-N
XLogP4.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile (CID 134895980) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile is C=C[C@H](C(C)C)[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-propan-2-ylpent-4-enenitrile?
The InChIKey is JSZJRIREIJVYEN-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-9-12(11(2)3)13(10-15)16-17(7,8)14(4,5)6/h9,11-13H,1H2,2-8H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.36, 5 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-propan-2-ylpent-4-enenitrile is sourced from PubChem (CID 134895980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).