[(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane

C21H38OSi — CID 162419070

IUPAC[(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane
SMILESCCC/C=C(\O[Si](CC)(CC)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H38OSi/c1-5-9-10-20(22-23(6-2,7-3)8-4)21-14-17-11-18(15-21)13-19(12-17)16-21/h10,17-19H,5-9,11-16H2,1-4H3/b20-10-
InChIKeyUTBCGIGWUNXKCG-JMIUGGIZSA-N
MW334.62 g/mol
LogP6.91
Rot. Bonds8

About [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane

[(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane (PubChem CID 162419070) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane
PubChem CID162419070
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name[(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane
SMILESCCC/C=C(\O[Si](CC)(CC)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H38OSi/c1-5-9-10-20(22-23(6-2,7-3)8-4)21-14-17-11-18(15-21)13-19(12-17)16-21/h10,17-19H,5-9,11-16H2,1-4H3/b20-10-
InChIKeyUTBCGIGWUNXKCG-JMIUGGIZSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane?
The IUPAC name of [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane (CID 162419070) is [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane.
What is the SMILES notation for [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane?
The canonical SMILES for [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane is CCC/C=C(\O[Si](CC)(CC)CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane?
The InChIKey is UTBCGIGWUNXKCG-JMIUGGIZSA-N. The full InChI is InChI=1S/C21H38OSi/c1-5-9-10-20(22-23(6-2,7-3)8-4)21-14-17-11-18(15-21)13-19(12-17)16-21/h10,17-19H,5-9,11-16H2,1-4H3/b20-10-.
What are the key properties of [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane?
[(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(1-adamantyl)pent-1-enoxy]-triethylsilane is sourced from PubChem (CID 162419070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).