4-bromotricyclo[5.2.1.02,6]deca-3,8-diene

C10H11Br — CID 68937024

IUPAC4-bromotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESBrC1=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C10H11Br/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,4,6-7,9-10H,3,5H2
InChIKeyVZZKMJCFNHHCSJ-UHFFFAOYSA-N
MW211.10 g/mol
LogP3.11
Rot. Bonds

About 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene

4-bromotricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 68937024) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name4-bromotricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID68937024
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name4-bromotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESBrC1=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C10H11Br/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,4,6-7,9-10H,3,5H2
InChIKeyVZZKMJCFNHHCSJ-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.11
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

tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
CID 118632672
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
3,4-dibromotricyclo[5.2.1.02,6]deca-3,8-diene
CID 20528656
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 98111802
tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene
CID 22237211
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173155873
4-methyltricyclo[5.2.1.02,6]deca-3,8-diene;8-methyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 158066102

Frequently Asked Questions

What is the IUPAC name of 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene (CID 68937024) is 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene is BrC1=CC2C3C=CC(C3)C2C1.
What is the InChIKey of 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is VZZKMJCFNHHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,4,6-7,9-10H,3,5H2.
What are the key properties of 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene?
4-bromotricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 211.10 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromotricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 68937024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).