[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane

C21H42OSi — CID 135000775

IUPAC[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
SMILESC=C(CCCCCC)[C@@H](O[Si](CC)(CC)CC)C1CCCCC1
InChIInChI=1S/C21H42OSi/c1-6-10-11-13-16-19(5)21(20-17-14-12-15-18-20)22-23(7-2,8-3)9-4/h20-21H,5-18H2,1-4H3/t21-/m1/s1
InChIKeyVFXOECLKMYYUFS-OAQYLSRUSA-N
MW338.65 g/mol
LogP7.48
Rot. Bonds12

About [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane

[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane (PubChem CID 135000775) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane.

Molecular Properties

Compound Name[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
PubChem CID135000775
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
SMILESC=C(CCCCCC)[C@@H](O[Si](CC)(CC)CC)C1CCCCC1
InChIInChI=1S/C21H42OSi/c1-6-10-11-13-16-19(5)21(20-17-14-12-15-18-20)22-23(7-2,8-3)9-4/h20-21H,5-18H2,1-4H3/t21-/m1/s1
InChIKeyVFXOECLKMYYUFS-OAQYLSRUSA-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 [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane?
The IUPAC name of [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane (CID 135000775) is [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane.
What is the SMILES notation for [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane?
The canonical SMILES for [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane is C=C(CCCCCC)[C@@H](O[Si](CC)(CC)CC)C1CCCCC1.
What is the InChIKey of [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane?
The InChIKey is VFXOECLKMYYUFS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H42OSi/c1-6-10-11-13-16-19(5)21(20-17-14-12-15-18-20)22-23(7-2,8-3)9-4/h20-21H,5-18H2,1-4H3/t21-/m1/s1.
What are the key properties of [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane?
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-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 [(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane is sourced from PubChem (CID 135000775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).