triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane

C25H52O2Si2 — CID 69329927

IUPACtriethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane
SMILESCCCCC[C@@H](/C=C/[C@@H]1CCC[C@@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52O2Si2/c1-8-15-16-19-24(26-28(9-2,10-3)11-4)22-21-23-18-17-20-25(23)27-29(12-5,13-6)14-7/h21-25H,8-20H2,1-7H3/b22-21+/t23-,24-,25-/m0/s1
InChIKeyQRHNTVYBKSHPGZ-VRHXENQKSA-N
MW440.86 g/mol
LogP8.70
Rot. Bonds16

About triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane

triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane (PubChem CID 69329927) has the molecular formula C25H52O2Si2 and a molecular weight of 440.86 g/mol. Its IUPAC name is triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane
PubChem CID69329927
Molecular FormulaC25H52O2Si2
Molecular Weight440.86 g/mol
Exact Mass440.35
IUPAC Nametriethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane
SMILESCCCCC[C@@H](/C=C/[C@@H]1CCC[C@@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52O2Si2/c1-8-15-16-19-24(26-28(9-2,10-3)11-4)22-21-23-18-17-20-25(23)27-29(12-5,13-6)14-7/h21-25H,8-20H2,1-7H3/b22-21+/t23-,24-,25-/m0/s1
InChIKeyQRHNTVYBKSHPGZ-VRHXENQKSA-N
XLogP8.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.86
LogP ≤ 58.70
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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Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane (CID 69329927) is triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane is CCCCC[C@@H](/C=C/[C@@H]1CCC[C@@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane?
The InChIKey is QRHNTVYBKSHPGZ-VRHXENQKSA-N. The full InChI is InChI=1S/C25H52O2Si2/c1-8-15-16-19-24(26-28(9-2,10-3)11-4)22-21-23-18-17-20-25(23)27-29(12-5,13-6)14-7/h21-25H,8-20H2,1-7H3/b22-21+/t23-,24-,25-/m0/s1.
What are the key properties of triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane?
triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane has a molecular weight of 440.86 g/mol, XLogP of 8.70, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E,3S)-1-[(1S,2S)-2-triethylsilyloxycyclopentyl]oct-1-en-3-yl]oxysilane is sourced from PubChem (CID 69329927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).