[(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane

C14H29BrSi — CID 101116945

IUPAC[(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane
SMILESCCCCCC/C=C(/Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrSi/c1-7-8-9-10-11-12-13(15)16(5,6)14(2,3)4/h12H,7-11H2,1-6H3/b13-12-
InChIKeyLNSRRJOGPVWTBB-SEYXRHQNSA-N
MW305.38 g/mol
LogP6.28
Rot. Bonds6

About [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane

[(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane (PubChem CID 101116945) has the molecular formula C14H29BrSi and a molecular weight of 305.38 g/mol. Its IUPAC name is [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane
PubChem CID101116945
Molecular FormulaC14H29BrSi
Molecular Weight305.38 g/mol
Exact Mass304.12
IUPAC Name[(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane
SMILESCCCCCC/C=C(/Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrSi/c1-7-8-9-10-11-12-13(15)16(5,6)14(2,3)4/h12H,7-11H2,1-6H3/b13-12-
InChIKeyLNSRRJOGPVWTBB-SEYXRHQNSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane (CID 101116945) is [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane is CCCCCC/C=C(/Br)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane?
The InChIKey is LNSRRJOGPVWTBB-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H29BrSi/c1-7-8-9-10-11-12-13(15)16(5,6)14(2,3)4/h12H,7-11H2,1-6H3/b13-12-.
What are the key properties of [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane?
[(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane has a molecular weight of 305.38 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromooct-1-enyl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101116945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).