2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene

C11H11Br — CID 12507989

IUPAC2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene
SMILESBrCc1c2c(cc3c1CC3)CC2
InChIInChI=1S/C11H11Br/c12-6-11-9-3-1-7(9)5-8-2-4-10(8)11/h5H,1-4,6H2
InChIKeyMMJQWOFSKPJNPG-UHFFFAOYSA-N
MW223.11 g/mol
LogP2.78
Rot. Bonds1

About 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene

2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene (PubChem CID 12507989) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene.

Molecular Properties

Compound Name2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene
PubChem CID12507989
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene
SMILESBrCc1c2c(cc3c1CC3)CC2
InChIInChI=1S/C11H11Br/c12-6-11-9-3-1-7(9)5-8-2-4-10(8)11/h5H,1-4,6H2
InChIKeyMMJQWOFSKPJNPG-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(Bromomethyl)-1,3,5-trimethylbenzene
CID 233400
1,2,4,5-Tetrakis(bromomethyl)benzene
CID 284971
1,4-Bis(bromomethyl)-2,5-dimethylbenzene
CID 3015742
2,3,5,6-Tetramethylbenzyl bromide
CID 10105132
1-(Bromomethyl)-2,4,5-trimethylbenzene
CID 10420742
3,4-Dimethylbenzyl bromide
CID 13199190
Tricyclo(6.2.0.03,6)deca-1(8),2,6-triene
CID 137110
2-(Bromomethyl)-1,4-dimethylbenzene
CID 15166401
3-Ethenyl(bicyclo(4.2.0)-octa-1,3,5-triene)
CID 22172249
3-(Bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 71356595
1-(Bromomethyl)-2,4-dimethylbenzene
CID 2734604
1-(Bromomethyl)-2,3,4-trimethylbenzene
CID 9990781

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene?
The IUPAC name of 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene (CID 12507989) is 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene.
What is the SMILES notation for 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene?
The canonical SMILES for 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene is BrCc1c2c(cc3c1CC3)CC2.
What is the InChIKey of 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene?
The InChIKey is MMJQWOFSKPJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c12-6-11-9-3-1-7(9)5-8-2-4-10(8)11/h5H,1-4,6H2.
What are the key properties of 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene?
2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene has a molecular weight of 223.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)tricyclo[6.2.0.03,6]deca-1(8),2,6-triene is sourced from PubChem (CID 12507989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).