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

C7H9Br3Si — CID 154104999

IUPACdibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
SMILESBr[SiH](Br)CC1(Br)C=CC=CC1
InChIInChI=1S/C7H9Br3Si/c8-7(6-11(9)10)4-2-1-3-5-7/h1-4,11H,5-6H2
InChIKeyICFVXHQUWWZIJC-UHFFFAOYSA-N
MW360.95 g/mol
LogP3.65
Rot. Bonds2

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

dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane (PubChem CID 154104999) has the molecular formula C7H9Br3Si and a molecular weight of 360.95 g/mol. Its IUPAC name is dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane.

Molecular Properties

Compound Namedibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
PubChem CID154104999
Molecular FormulaC7H9Br3Si
Molecular Weight360.95 g/mol
Exact Mass357.80
IUPAC Namedibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
SMILESBr[SiH](Br)CC1(Br)C=CC=CC1
InChIInChI=1S/C7H9Br3Si/c8-7(6-11(9)10)4-2-1-3-5-7/h1-4,11H,5-6H2
InChIKeyICFVXHQUWWZIJC-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.95
LogP ≤ 53.65
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'}

Analyze dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane with MolForge

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

Launch Full Analysis

Related Compounds

Tribromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane
CID 66694830
[1,4-Bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane
CID 173211163
[(1R)-3,4,5-tribromocyclohexa-2,4-dien-1-yl]silane
CID 173583963

Frequently Asked Questions

What is the IUPAC name of dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
The IUPAC name of dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane (CID 154104999) is dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane.
What is the SMILES notation for dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
The canonical SMILES for dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane is Br[SiH](Br)CC1(Br)C=CC=CC1.
What is the InChIKey of dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
The InChIKey is ICFVXHQUWWZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br3Si/c8-7(6-11(9)10)4-2-1-3-5-7/h1-4,11H,5-6H2.
What are the key properties of dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane?
dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane has a molecular weight of 360.95 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]silane is sourced from PubChem (CID 154104999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).