1-Allyldimethylsilyl-4-bromo-naphthalene

C15H16BrSi — CID 70178551

IUPAC—
SMILESC=CCc1c([Si](C)C)cc(Br)c2ccccc12
InChIInChI=1S/C15H16BrSi/c1-4-7-13-11-8-5-6-9-12(11)14(16)10-15(13)17(2)3/h4-6,8-10H,1,7H2,2-3H3
InChIKeyASZGPNQYCKIWQC-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.29
Rot. Bonds3

About 1-Allyldimethylsilyl-4-bromo-naphthalene

1-Allyldimethylsilyl-4-bromo-naphthalene (PubChem CID 70178551) has the molecular formula C15H16BrSi and a molecular weight of 304.28 g/mol.

Molecular Properties

Compound Name1-Allyldimethylsilyl-4-bromo-naphthalene
PubChem CID70178551
Molecular FormulaC15H16BrSi
Molecular Weight304.28 g/mol
Exact Mass303.02
IUPAC Name—
SMILESC=CCc1c([Si](C)C)cc(Br)c2ccccc12
InChIInChI=1S/C15H16BrSi/c1-4-7-13-11-8-5-6-9-12(11)14(16)10-15(13)17(2)3/h4-6,8-10H,1,7H2,2-3H3
InChIKeyASZGPNQYCKIWQC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 1-Allyldimethylsilyl-4-bromo-naphthalene?
The IUPAC name of 1-Allyldimethylsilyl-4-bromo-naphthalene (CID 70178551) is not available.
What is the SMILES notation for 1-Allyldimethylsilyl-4-bromo-naphthalene?
The canonical SMILES for 1-Allyldimethylsilyl-4-bromo-naphthalene is C=CCc1c([Si](C)C)cc(Br)c2ccccc12.
What is the InChIKey of 1-Allyldimethylsilyl-4-bromo-naphthalene?
The InChIKey is ASZGPNQYCKIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrSi/c1-4-7-13-11-8-5-6-9-12(11)14(16)10-15(13)17(2)3/h4-6,8-10H,1,7H2,2-3H3.
What are the key properties of 1-Allyldimethylsilyl-4-bromo-naphthalene?
1-Allyldimethylsilyl-4-bromo-naphthalene has a molecular weight of 304.28 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Allyldimethylsilyl-4-bromo-naphthalene is sourced from PubChem (CID 70178551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).