2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane

C12H16Br2 — CID 12649566

IUPAC2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane
SMILESBrC12C3CCC(C3)C1(Br)C1CCC2C1
InChIInChI=1S/C12H16Br2/c13-11-7-1-2-8(5-7)12(11,14)10-4-3-9(11)6-10/h7-10H,1-6H2
InChIKeyBPTZBTOKBHDYIB-UHFFFAOYSA-N
MW320.07 g/mol
LogP4.11
Rot. Bonds

About 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane

2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 12649566) has the molecular formula C12H16Br2 and a molecular weight of 320.07 g/mol. Its IUPAC name is 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID12649566
Molecular FormulaC12H16Br2
Molecular Weight320.07 g/mol
Exact Mass317.96
IUPAC Name2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane
SMILESBrC12C3CCC(C3)C1(Br)C1CCC2C1
InChIInChI=1S/C12H16Br2/c13-11-7-1-2-8(5-7)12(11,14)10-4-3-9(11)6-10/h7-10H,1-6H2
InChIKeyBPTZBTOKBHDYIB-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane (CID 12649566) is 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane is BrC12C3CCC(C3)C1(Br)C1CCC2C1.
What is the InChIKey of 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is BPTZBTOKBHDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2/c13-11-7-1-2-8(5-7)12(11,14)10-4-3-9(11)6-10/h7-10H,1-6H2.
What are the key properties of 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane?
2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 320.07 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 12649566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).