(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile

C13H25NOSi — CID 148654414

IUPAC(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile
SMILESCC[Si](C)(C)O[C@](C)(C#N)CCC=C(C)C
InChIInChI=1S/C13H25NOSi/c1-7-16(5,6)15-13(4,11-14)10-8-9-12(2)3/h9H,7-8,10H2,1-6H3/t13-/m0/s1
InChIKeyNMNOLCZPXBWLSJ-ZDUSSCGKSA-N
MW239.43 g/mol
LogP4.26
Rot. Bonds6

About (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile

(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile (PubChem CID 148654414) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile.

Molecular Properties

Compound Name(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile
PubChem CID148654414
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile
SMILESCC[Si](C)(C)O[C@](C)(C#N)CCC=C(C)C
InChIInChI=1S/C13H25NOSi/c1-7-16(5,6)15-13(4,11-14)10-8-9-12(2)3/h9H,7-8,10H2,1-6H3/t13-/m0/s1
InChIKeyNMNOLCZPXBWLSJ-ZDUSSCGKSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.26
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 (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile?
The IUPAC name of (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile (CID 148654414) is (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile.
What is the SMILES notation for (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile?
The canonical SMILES for (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile is CC[Si](C)(C)O[C@](C)(C#N)CCC=C(C)C.
What is the InChIKey of (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile?
The InChIKey is NMNOLCZPXBWLSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-7-16(5,6)15-13(4,11-14)10-8-9-12(2)3/h9H,7-8,10H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile?
(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile has a molecular weight of 239.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile is sourced from PubChem (CID 148654414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).