1-adamantyl-but-1-enyl-dimethylsilane

C16H28Si — CID 139918429

IUPAC1-adamantyl-but-1-enyl-dimethylsilane
SMILESCCC=C[Si](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28Si/c1-4-5-6-17(2,3)16-10-13-7-14(11-16)9-15(8-13)12-16/h5-6,13-15H,4,7-12H2,1-3H3
InChIKeyHQPQOFMESNHVGG-UHFFFAOYSA-N
MW248.49 g/mol
LogP5.17
Rot. Bonds3

About 1-adamantyl-but-1-enyl-dimethylsilane

1-adamantyl-but-1-enyl-dimethylsilane (PubChem CID 139918429) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is 1-adamantyl-but-1-enyl-dimethylsilane.

Molecular Properties

Compound Name1-adamantyl-but-1-enyl-dimethylsilane
PubChem CID139918429
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Name1-adamantyl-but-1-enyl-dimethylsilane
SMILESCCC=C[Si](C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28Si/c1-4-5-6-17(2,3)16-10-13-7-14(11-16)9-15(8-13)12-16/h5-6,13-15H,4,7-12H2,1-3H3
InChIKeyHQPQOFMESNHVGG-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-but-1-enyl-dimethylsilane?
The IUPAC name of 1-adamantyl-but-1-enyl-dimethylsilane (CID 139918429) is 1-adamantyl-but-1-enyl-dimethylsilane.
What is the SMILES notation for 1-adamantyl-but-1-enyl-dimethylsilane?
The canonical SMILES for 1-adamantyl-but-1-enyl-dimethylsilane is CCC=C[Si](C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-but-1-enyl-dimethylsilane?
The InChIKey is HQPQOFMESNHVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Si/c1-4-5-6-17(2,3)16-10-13-7-14(11-16)9-15(8-13)12-16/h5-6,13-15H,4,7-12H2,1-3H3.
What are the key properties of 1-adamantyl-but-1-enyl-dimethylsilane?
1-adamantyl-but-1-enyl-dimethylsilane has a molecular weight of 248.49 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-but-1-enyl-dimethylsilane is sourced from PubChem (CID 139918429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).