[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane

C21H42OSi — CID 102515912

IUPAC[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
SMILESCCCCCC/C=C/[C@@H](O[Si](CC)(CC)CC)C1CCCCC1
InChIInChI=1S/C21H42OSi/c1-5-9-10-11-12-16-19-21(20-17-14-13-15-18-20)22-23(6-2,7-3)8-4/h16,19-21H,5-15,17-18H2,1-4H3/b19-16+/t21-/m1/s1
InChIKeyMSURTRSWHBTUEP-WEIUTZTHSA-N
MW338.65 g/mol
LogP7.48
Rot. Bonds12

About [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane

[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane (PubChem CID 102515912) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
PubChem CID102515912
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
SMILESCCCCCC/C=C/[C@@H](O[Si](CC)(CC)CC)C1CCCCC1
InChIInChI=1S/C21H42OSi/c1-5-9-10-11-12-16-19-21(20-17-14-13-15-18-20)22-23(6-2,7-3)8-4/h16,19-21H,5-15,17-18H2,1-4H3/b19-16+/t21-/m1/s1
InChIKeyMSURTRSWHBTUEP-WEIUTZTHSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane?
The IUPAC name of [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane (CID 102515912) is [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane.
What is the SMILES notation for [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane?
The canonical SMILES for [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane is CCCCCC/C=C/[C@@H](O[Si](CC)(CC)CC)C1CCCCC1.
What is the InChIKey of [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane?
The InChIKey is MSURTRSWHBTUEP-WEIUTZTHSA-N. The full InChI is InChI=1S/C21H42OSi/c1-5-9-10-11-12-16-19-21(20-17-14-13-15-18-20)22-23(6-2,7-3)8-4/h16,19-21H,5-15,17-18H2,1-4H3/b19-16+/t21-/m1/s1.
What are the key properties of [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane?
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane has a molecular weight of 338.65 g/mol, XLogP of 7.48, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane is sourced from PubChem (CID 102515912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).