trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane

C26H56O2Si2 — CID 10027087

IUPACtrimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane
SMILESCCCCCCCCC[C@H](/C=C/[C@H](CCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H56O2Si2/c1-9-11-13-15-16-18-20-22-26(28-30(6,7)8)24-23-25(27-29(3,4)5)21-19-17-14-12-10-2/h23-26H,9-22H2,1-8H3/b24-23+/t25-,26+/m0/s1
InChIKeyQJPFXPWBARWNSS-ZIJUKQBZSA-N
MW456.90 g/mol
LogP9.48
Rot. Bonds20

About trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane

trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane (PubChem CID 10027087) has the molecular formula C26H56O2Si2 and a molecular weight of 456.90 g/mol. Its IUPAC name is trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane
PubChem CID10027087
Molecular FormulaC26H56O2Si2
Molecular Weight456.90 g/mol
Exact Mass456.38
IUPAC Nametrimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane
SMILESCCCCCCCCC[C@H](/C=C/[C@H](CCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H56O2Si2/c1-9-11-13-15-16-18-20-22-26(28-30(6,7)8)24-23-25(27-29(3,4)5)21-19-17-14-12-10-2/h23-26H,9-22H2,1-8H3/b24-23+/t25-,26+/m0/s1
InChIKeyQJPFXPWBARWNSS-ZIJUKQBZSA-N
XLogP9.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E,6S,9R)-9-trimethylsilyloxyoctadec-7-en-6-yl]oxysilane
CID 10025621
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630
trimethyl-[(Z)-1-trimethylsilyldec-3-en-1-yn-5-yl]oxysilane
CID 146162964
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
trimethyl-[(E)-non-5-en-4-yl]oxysilane
CID 10420809
decan-5-yloxy(trimethyl)silane
CID 553210
1-iodoundecoxy(trimethyl)silane
CID 22215334
(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-amine
CID 11365820
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
triethyl-[(E)-1-triethylsilyloct-1-en-3-yl]oxysilane
CID 10428374

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane?
The IUPAC name of trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane (CID 10027087) is trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane.
What is the SMILES notation for trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane?
The canonical SMILES for trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane is CCCCCCCCC[C@H](/C=C/[C@H](CCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane?
The InChIKey is QJPFXPWBARWNSS-ZIJUKQBZSA-N. The full InChI is InChI=1S/C26H56O2Si2/c1-9-11-13-15-16-18-20-22-26(28-30(6,7)8)24-23-25(27-29(3,4)5)21-19-17-14-12-10-2/h23-26H,9-22H2,1-8H3/b24-23+/t25-,26+/m0/s1.
What are the key properties of trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane?
trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane has a molecular weight of 456.90 g/mol, XLogP of 9.48, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane is sourced from PubChem (CID 10027087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).