[1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane

C8H12Br2Si — CID 173211163

IUPAC[1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane
SMILES[SiH3]C1(CBr)C=CC(CBr)=CC1
InChIInChI=1S/C8H12Br2Si/c9-5-7-1-3-8(11,6-10)4-2-7/h1-3H,4-6H2,11H3
InChIKeyRVVXOCZSROABRY-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.19
Rot. Bonds2

About [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane

[1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane (PubChem CID 173211163) has the molecular formula C8H12Br2Si and a molecular weight of 296.08 g/mol. Its IUPAC name is [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane.

Molecular Properties

Compound Name[1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane
PubChem CID173211163
Molecular FormulaC8H12Br2Si
Molecular Weight296.08 g/mol
Exact Mass293.91
IUPAC Name[1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane
SMILES[SiH3]C1(CBr)C=CC(CBr)=CC1
InChIInChI=1S/C8H12Br2Si/c9-5-7-1-3-8(11,6-10)4-2-7/h1-3H,4-6H2,11H3
InChIKeyRVVXOCZSROABRY-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.19
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'}

Analyze [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane?
The IUPAC name of [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane (CID 173211163) is [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane.
What is the SMILES notation for [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane?
The canonical SMILES for [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane is [SiH3]C1(CBr)C=CC(CBr)=CC1.
What is the InChIKey of [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane?
The InChIKey is RVVXOCZSROABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2Si/c9-5-7-1-3-8(11,6-10)4-2-7/h1-3H,4-6H2,11H3.
What are the key properties of [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane?
[1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane has a molecular weight of 296.08 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-bis(bromomethyl)cyclohexa-2,4-dien-1-yl]silane is sourced from PubChem (CID 173211163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).