2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione

C14H16Br2O2 — CID 174042600

IUPAC2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
SMILESO=C1C2CCC(Br)C3C(=O)C4C(Br)CCC1C4C23
InChIInChI=1S/C14H16Br2O2/c15-7-3-1-5-9-10-6(13(5)17)2-4-8(16)12(10)14(18)11(7)9/h5-12H,1-4H2
InChIKeyDBSGWHIYVVPDAG-UHFFFAOYSA-N
MW376.09 g/mol
LogP2.96
Rot. Bonds

About 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione

2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione (PubChem CID 174042600) has the molecular formula C14H16Br2O2 and a molecular weight of 376.09 g/mol. Its IUPAC name is 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione.

Molecular Properties

Compound Name2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
PubChem CID174042600
Molecular FormulaC14H16Br2O2
Molecular Weight376.09 g/mol
Exact Mass373.95
IUPAC Name2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
SMILESO=C1C2CCC(Br)C3C(=O)C4C(Br)CCC1C4C23
InChIInChI=1S/C14H16Br2O2/c15-7-3-1-5-9-10-6(13(5)17)2-4-8(16)12(10)14(18)11(7)9/h5-12H,1-4H2
InChIKeyDBSGWHIYVVPDAG-UHFFFAOYSA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
The IUPAC name of 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione (CID 174042600) is 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione.
What is the SMILES notation for 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
The canonical SMILES for 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione is O=C1C2CCC(Br)C3C(=O)C4C(Br)CCC1C4C23.
What is the InChIKey of 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
The InChIKey is DBSGWHIYVVPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2O2/c15-7-3-1-5-9-10-6(13(5)17)2-4-8(16)12(10)14(18)11(7)9/h5-12H,1-4H2.
What are the key properties of 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione has a molecular weight of 376.09 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromotetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione is sourced from PubChem (CID 174042600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).