2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile

C17H30N2OSi — CID 11358695

IUPAC2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile
SMILESC=C(/C=C/CCCC/N=C/C#N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30N2OSi/c1-16(15-20-21(5,6)17(2,3)4)11-9-7-8-10-13-19-14-12-18/h9,11,14H,1,7-8,10,13,15H2,2-6H3/b11-9+,19-14+
InChIKeyHIISCIUAVXJHPM-AFYXKLSTSA-N
MW306.53 g/mol
LogP4.89
Rot. Bonds9

About 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile

2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile (PubChem CID 11358695) has the molecular formula C17H30N2OSi and a molecular weight of 306.53 g/mol. Its IUPAC name is 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile.

Molecular Properties

Compound Name2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile
PubChem CID11358695
Molecular FormulaC17H30N2OSi
Molecular Weight306.53 g/mol
Exact Mass306.21
IUPAC Name2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile
SMILESC=C(/C=C/CCCC/N=C/C#N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30N2OSi/c1-16(15-20-21(5,6)17(2,3)4)11-9-7-8-10-13-19-14-12-18/h9,11,14H,1,7-8,10,13,15H2,2-6H3/b11-9+,19-14+
InChIKeyHIISCIUAVXJHPM-AFYXKLSTSA-N
XLogP4.89
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(E)-2-methylidenehex-3-enoxy]silane
CID 11229887
(2E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
CID 146163181
tert-butyl-dimethyl-(2-methylidenebut-3-enoxy)silane
CID 10058581
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
CID 57331776
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
tert-butyl-dimethyl-[2-(3-pent-4-enyloxiran-2-yl)prop-2-enoxy]silane
CID 10517052
3-[(2Z,4Z)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2-cyanoethylsulfanyl)hexa-2,4-dien-2-yl]sulfanylpropanenitrile
CID 10255865
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
tert-butyl-[2-(iodomethyl)prop-2-enoxy]-dimethylsilane
CID 11358863
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile?
The IUPAC name of 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile (CID 11358695) is 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile.
What is the SMILES notation for 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile?
The canonical SMILES for 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile is C=C(/C=C/CCCC/N=C/C#N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile?
The InChIKey is HIISCIUAVXJHPM-AFYXKLSTSA-N. The full InChI is InChI=1S/C17H30N2OSi/c1-16(15-20-21(5,6)17(2,3)4)11-9-7-8-10-13-19-14-12-18/h9,11,14H,1,7-8,10,13,15H2,2-6H3/b11-9+,19-14+.
What are the key properties of 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile?
2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile has a molecular weight of 306.53 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-5,7-dienyl]iminoacetonitrile is sourced from PubChem (CID 11358695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).