5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene

C10H12Br2 — CID 175543019

IUPAC5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene
SMILESC=CCC1(Br)C=CC=CC1CBr
InChIInChI=1S/C10H12Br2/c1-2-6-10(12)7-4-3-5-9(10)8-11/h2-5,7,9H,1,6,8H2
InChIKeyKYHJCSFJDGSCGP-UHFFFAOYSA-N
MW292.01 g/mol
LogP3.83
Rot. Bonds3

About 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene

5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene (PubChem CID 175543019) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene
PubChem CID175543019
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene
SMILESC=CCC1(Br)C=CC=CC1CBr
InChIInChI=1S/C10H12Br2/c1-2-6-10(12)7-4-3-5-9(10)8-11/h2-5,7,9H,1,6,8H2
InChIKeyKYHJCSFJDGSCGP-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene 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

5-(2-bromoethyl)-5,6-bis(bromomethyl)cyclohexa-1,3-diene
CID 174704958
1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
CID 134378481
5-bromo-6-ethenyl-5-ethoxycyclohexa-1,3-diene
CID 151850777
1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
CID 174381773
(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine
CID 174464445
2-(6-ethenyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetic acid
CID 70574562
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
5,5-bis(prop-2-enyl)cyclohexa-1,3-diene
CID 174405622
2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
CID 141411641
7a-bromo-3aH-1,3-benzodioxole
CID 68820295
6-prop-2-enyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 87060450
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene?
The IUPAC name of 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene (CID 175543019) is 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene.
What is the SMILES notation for 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene?
The canonical SMILES for 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene is C=CCC1(Br)C=CC=CC1CBr.
What is the InChIKey of 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene?
The InChIKey is KYHJCSFJDGSCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c1-2-6-10(12)7-4-3-5-9(10)8-11/h2-5,7,9H,1,6,8H2.
What are the key properties of 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene?
5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene has a molecular weight of 292.01 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(bromomethyl)-5-prop-2-enylcyclohexa-1,3-diene is sourced from PubChem (CID 175543019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).