(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile

C12H23NO2Si — CID 10514274

IUPAC(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(O)/C=C/C#N
InChIInChI=1S/C12H23NO2Si/c1-10(11(14)8-7-9-13)15-16(5,6)12(2,3)4/h7-8,10-11,14H,1-6H3/b8-7+/t10-,11?/m0/s1
InChIKeySQRYXZORXBJCTH-LHMHPJTCSA-N
MW241.41 g/mol
LogP2.84
Rot. Bonds4

About (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile

(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile (PubChem CID 10514274) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile.

Molecular Properties

Compound Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile
PubChem CID10514274
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(O)/C=C/C#N
InChIInChI=1S/C12H23NO2Si/c1-10(11(14)8-7-9-13)15-16(5,6)12(2,3)4/h7-8,10-11,14H,1-6H3/b8-7+/t10-,11?/m0/s1
InChIKeySQRYXZORXBJCTH-LHMHPJTCSA-N
XLogP2.84
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-oxohex-2-enenitrile
CID 11288616
(E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trichloro-6-hydroxyoct-4-en-3-one
CID 54592131
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
CID 123172359
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 101390740
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile?
The IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile (CID 10514274) is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile.
What is the SMILES notation for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile?
The canonical SMILES for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile is C[C@H](O[Si](C)(C)C(C)(C)C)C(O)/C=C/C#N.
What is the InChIKey of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile?
The InChIKey is SQRYXZORXBJCTH-LHMHPJTCSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-10(11(14)8-7-9-13)15-16(5,6)12(2,3)4/h7-8,10-11,14H,1-6H3/b8-7+/t10-,11?/m0/s1.
What are the key properties of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile?
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile has a molecular weight of 241.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhex-2-enenitrile is sourced from PubChem (CID 10514274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).