2-bromo-6-tert-butylcyclohexa-1,3-diene

C10H15Br — CID 90391345

IUPAC2-bromo-6-tert-butylcyclohexa-1,3-diene
SMILESCC(C)(C)C1C=C(Br)C=CC1
InChIInChI=1S/C10H15Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6-8H,5H2,1-3H3
InChIKeyIWAUHDVWUUKMRO-UHFFFAOYSA-N
MW215.13 g/mol
LogP3.89
Rot. Bonds

About 2-bromo-6-tert-butylcyclohexa-1,3-diene

2-bromo-6-tert-butylcyclohexa-1,3-diene (PubChem CID 90391345) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-bromo-6-tert-butylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-bromo-6-tert-butylcyclohexa-1,3-diene
PubChem CID90391345
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name2-bromo-6-tert-butylcyclohexa-1,3-diene
SMILESCC(C)(C)C1C=C(Br)C=CC1
InChIInChI=1S/C10H15Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6-8H,5H2,1-3H3
InChIKeyIWAUHDVWUUKMRO-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-6-tert-butylcyclohexa-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 2-bromo-6-tert-butylcyclohexa-1,3-diene?
The IUPAC name of 2-bromo-6-tert-butylcyclohexa-1,3-diene (CID 90391345) is 2-bromo-6-tert-butylcyclohexa-1,3-diene.
What is the SMILES notation for 2-bromo-6-tert-butylcyclohexa-1,3-diene?
The canonical SMILES for 2-bromo-6-tert-butylcyclohexa-1,3-diene is CC(C)(C)C1C=C(Br)C=CC1.
What is the InChIKey of 2-bromo-6-tert-butylcyclohexa-1,3-diene?
The InChIKey is IWAUHDVWUUKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4,6-8H,5H2,1-3H3.
What are the key properties of 2-bromo-6-tert-butylcyclohexa-1,3-diene?
2-bromo-6-tert-butylcyclohexa-1,3-diene has a molecular weight of 215.13 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butylcyclohexa-1,3-diene is sourced from PubChem (CID 90391345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).