1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C12H12Br2 — CID 88562939

IUPAC1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESBrC1=CC=C(C2=CC=C(Br)CC2)CC1
InChIInChI=1S/C12H12Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1,3,5,7H,2,4,6,8H2
InChIKeyXARWTJXBCVIXNH-UHFFFAOYSA-N
MW316.04 g/mol
LogP4.98
Rot. Bonds1

About 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 88562939) has the molecular formula C12H12Br2 and a molecular weight of 316.04 g/mol. Its IUPAC name is 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID88562939
Molecular FormulaC12H12Br2
Molecular Weight316.04 g/mol
Exact Mass313.93
IUPAC Name1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESBrC1=CC=C(C2=CC=C(Br)CC2)CC1
InChIInChI=1S/C12H12Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1,3,5,7H,2,4,6,8H2
InChIKeyXARWTJXBCVIXNH-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 88562939) is 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is BrC1=CC=C(C2=CC=C(Br)CC2)CC1.
What is the InChIKey of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is XARWTJXBCVIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 316.04 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 88562939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).