5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene

C14H16Br2O — CID 174376468

IUPAC5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene
SMILESCC1(Br)C=CC(OC2=CCC(C)(Br)C=C2)=CC1
InChIInChI=1S/C14H16Br2O/c1-13(15)7-3-11(4-8-13)17-12-5-9-14(2,16)10-6-12/h3-7,9H,8,10H2,1-2H3
InChIKeyYFNQRFRYIRTKRS-UHFFFAOYSA-N
MW360.09 g/mol
LogP5.00
Rot. Bonds2

About 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene

5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene (PubChem CID 174376468) has the molecular formula C14H16Br2O and a molecular weight of 360.09 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene
PubChem CID174376468
Molecular FormulaC14H16Br2O
Molecular Weight360.09 g/mol
Exact Mass357.96
IUPAC Name5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene
SMILESCC1(Br)C=CC(OC2=CCC(C)(Br)C=C2)=CC1
InChIInChI=1S/C14H16Br2O/c1-13(15)7-3-11(4-8-13)17-12-5-9-14(2,16)10-6-12/h3-7,9H,8,10H2,1-2H3
InChIKeyYFNQRFRYIRTKRS-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene (CID 174376468) is 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene is CC1(Br)C=CC(OC2=CCC(C)(Br)C=C2)=CC1.
What is the InChIKey of 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene?
The InChIKey is YFNQRFRYIRTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2O/c1-13(15)7-3-11(4-8-13)17-12-5-9-14(2,16)10-6-12/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene?
5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene has a molecular weight of 360.09 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-4-methylcyclohexa-1,5-dien-1-yl)oxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 174376468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).