1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene

C13H15Br — CID 161149242

IUPAC1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene
SMILESBrC1=C(C2C=CC=C2)CCC=CCC1
InChIInChI=1S/C13H15Br/c14-13-10-4-2-1-3-9-12(13)11-7-5-6-8-11/h1-2,5-8,11H,3-4,9-10H2
InChIKeyZMUGAZZQNWJQJO-UHFFFAOYSA-N
MW251.17 g/mol
LogP4.51
Rot. Bonds1

About 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene

1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene (PubChem CID 161149242) has the molecular formula C13H15Br and a molecular weight of 251.17 g/mol. Its IUPAC name is 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene.

Molecular Properties

Compound Name1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene
PubChem CID161149242
Molecular FormulaC13H15Br
Molecular Weight251.17 g/mol
Exact Mass250.04
IUPAC Name1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene
SMILESBrC1=C(C2C=CC=C2)CCC=CCC1
InChIInChI=1S/C13H15Br/c14-13-10-4-2-1-3-9-12(13)11-7-5-6-8-11/h1-2,5-8,11H,3-4,9-10H2
InChIKeyZMUGAZZQNWJQJO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 159396232
1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
1-bromo-2-ethenylcyclohexa-1,3-diene
CID 142476555
1-bromocyclohexa-1,3-diene;ethane
CID 142165944
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 151916060
6,7-dihydro-3aH-indazole
CID 173072405
(1Z,3Z)-1,2-dibromocycloocta-1,3-diene
CID 140580413
2-cyclohexylcyclohexa-1,5-dien-1-ol
CID 173364898
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
1-(2-bromoethenyl)cyclohexa-1,3-diene
CID 123972073
1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium
CID 158062216
3-(2-bromophenyl)-1,2,3,4,4b,8a,11,12-octahydrotriphenylene
CID 145276737

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene?
The IUPAC name of 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene (CID 161149242) is 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene.
What is the SMILES notation for 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene?
The canonical SMILES for 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene is BrC1=C(C2C=CC=C2)CCC=CCC1.
What is the InChIKey of 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene?
The InChIKey is ZMUGAZZQNWJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br/c14-13-10-4-2-1-3-9-12(13)11-7-5-6-8-11/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene?
1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene has a molecular weight of 251.17 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene is sourced from PubChem (CID 161149242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).