triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane

C22H46O2Si2 — CID 102509645

IUPACtriethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane
SMILESCCCCCC#CC[C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C22H46O2Si2/c1-8-15-16-17-18-19-20-22(24-26(12-5,13-6)14-7)21-23-25(9-2,10-3)11-4/h22H,8-17,20-21H2,1-7H3/t22-/m0/s1
InChIKeyZSQSRTHOAUAVAJ-QFIPXVFZSA-N
MW398.78 g/mol
LogP7.37
Rot. Bonds15

About triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane

triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane (PubChem CID 102509645) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane
PubChem CID102509645
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Nametriethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane
SMILESCCCCCC#CC[C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C22H46O2Si2/c1-8-15-16-17-18-19-20-22(24-26(12-5,13-6)14-7)21-23-25(9-2,10-3)11-4/h22H,8-17,20-21H2,1-7H3/t22-/m0/s1
InChIKeyZSQSRTHOAUAVAJ-QFIPXVFZSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.37
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(2R)-1-triethylsilyloxybutan-2-yl]oxysilane
CID 11370589
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
henicos-8-yne
CID 22224321
(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
CID 164949414
2-methoxyhexadec-4-ynoic acid
CID 71444531
8-methyltridec-5-yne
CID 173074728
triethyl(tetradecan-2-yloxy)silane
CID 568550
triethyl(hepta-1,6-diyn-4-yloxy)silane
CID 102524422
8-methylheptadec-5-yne
CID 22224327
2-aminodec-4-yn-1-ol
CID 170893246
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane?
The IUPAC name of triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane (CID 102509645) is triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane.
What is the SMILES notation for triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane?
The canonical SMILES for triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane is CCCCCC#CC[C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane?
The InChIKey is ZSQSRTHOAUAVAJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-8-15-16-17-18-19-20-22(24-26(12-5,13-6)14-7)21-23-25(9-2,10-3)11-4/h22H,8-17,20-21H2,1-7H3/t22-/m0/s1.
What are the key properties of triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane?
triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane has a molecular weight of 398.78 g/mol, XLogP of 7.37, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S)-2-triethylsilyloxydec-4-ynoxy]silane is sourced from PubChem (CID 102509645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).