1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene

C15H16Br4 — CID 22377410

IUPAC1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene
SMILESCC(C)(C1=CC(Br)CC(Br)=C1)C1=CC(Br)CC(Br)=C1
InChIInChI=1S/C15H16Br4/c1-15(2,9-3-11(16)7-12(17)4-9)10-5-13(18)8-14(19)6-10/h3-6,11,13H,7-8H2,1-2H3
InChIKeyJISNBCSDZNRIAY-UHFFFAOYSA-N
MW515.91 g/mol
LogP6.76
Rot. Bonds2

About 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene

1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene (PubChem CID 22377410) has the molecular formula C15H16Br4 and a molecular weight of 515.91 g/mol. Its IUPAC name is 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene
PubChem CID22377410
Molecular FormulaC15H16Br4
Molecular Weight515.91 g/mol
Exact Mass511.80
IUPAC Name1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene
SMILESCC(C)(C1=CC(Br)CC(Br)=C1)C1=CC(Br)CC(Br)=C1
InChIInChI=1S/C15H16Br4/c1-15(2,9-3-11(16)7-12(17)4-9)10-5-13(18)8-14(19)6-10/h3-6,11,13H,7-8H2,1-2H3
InChIKeyJISNBCSDZNRIAY-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.91
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene (CID 22377410) is 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene is CC(C)(C1=CC(Br)CC(Br)=C1)C1=CC(Br)CC(Br)=C1.
What is the InChIKey of 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene?
The InChIKey is JISNBCSDZNRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br4/c1-15(2,9-3-11(16)7-12(17)4-9)10-5-13(18)8-14(19)6-10/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene?
1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene has a molecular weight of 515.91 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 22377410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).