tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane

C7H8Br4Si — CID 66694830

IUPACtribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
SMILESBrC1(C[Si](Br)(Br)Br)C=CC=CC1
InChIInChI=1S/C7H8Br4Si/c8-7(6-12(9,10)11)4-2-1-3-5-7/h1-4H,5-6H2
InChIKeyIRPUCAVSATXZQW-UHFFFAOYSA-N
MW439.84 g/mol
LogP4.76
Rot. Bonds2

About tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane

tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane (PubChem CID 66694830) has the molecular formula C7H8Br4Si and a molecular weight of 439.84 g/mol. Its IUPAC name is tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane.

Molecular Properties

Compound Nametribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
PubChem CID66694830
Molecular FormulaC7H8Br4Si
Molecular Weight439.84 g/mol
Exact Mass435.71
IUPAC Nametribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
SMILESBrC1(C[Si](Br)(Br)Br)C=CC=CC1
InChIInChI=1S/C7H8Br4Si/c8-7(6-12(9,10)11)4-2-1-3-5-7/h1-4H,5-6H2
InChIKeyIRPUCAVSATXZQW-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.84
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
The IUPAC name of tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane (CID 66694830) is tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane.
What is the SMILES notation for tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
The canonical SMILES for tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane is BrC1(C[Si](Br)(Br)Br)C=CC=CC1.
What is the InChIKey of tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
The InChIKey is IRPUCAVSATXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br4Si/c8-7(6-12(9,10)11)4-2-1-3-5-7/h1-4H,5-6H2.
What are the key properties of tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane has a molecular weight of 439.84 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane is sourced from PubChem (CID 66694830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).