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

C13H25NOSi — CID 101169649

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile
SMILESCC(C)(/C=C/C#N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NOSi/c1-12(2,3)16(6,7)15-11-13(4,5)9-8-10-14/h8-9H,11H2,1-7H3/b9-8+
InChIKeyHJLBTAIWFCIPIX-CMDGGOBGSA-N
MW239.43 g/mol
LogP4.11
Rot. Bonds4

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

(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile (PubChem CID 101169649) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile
PubChem CID101169649
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile
SMILESCC(C)(/C=C/C#N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NOSi/c1-12(2,3)16(6,7)15-11-13(4,5)9-8-10-14/h8-9H,11H2,1-7H3/b9-8+
InChIKeyHJLBTAIWFCIPIX-CMDGGOBGSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(NE)-N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]hydroxylamine
CID 121006548
5-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4,4-dimethylpent-2-enoic acid
CID 131743461
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976
5-[tert-butyl(dimethyl)silyl]oxyhept-2-enenitrile
CID 123172359
lithium;tert-butyl-dimethyl-prop-2-enoxysilane;copper(1+);cyanide
CID 11807664
1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-enyl)amino]-2-[[methyl(prop-2-enyl)amino]methyl]propan-2-ol
CID 135019808
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
tert-butyl-dimethyl-prop-2-enoxysilane;trimethyl(prop-2-enoxy)silane
CID 87853444

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile (CID 101169649) is (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile is CC(C)(/C=C/C#N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile?
The InChIKey is HJLBTAIWFCIPIX-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-12(2,3)16(6,7)15-11-13(4,5)9-8-10-14/h8-9H,11H2,1-7H3/b9-8+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile?
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile has a molecular weight of 239.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile is sourced from PubChem (CID 101169649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).