7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol

C11H12Br2O — CID 2795009

IUPAC7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
SMILESOC12CC3C4CC5C3C1C(Br)(Br)C5C42
InChIInChI=1S/C11H12Br2O/c12-11(13)8-4-1-3-5-2-10(14,7(3)8)9(11)6(4)5/h3-9,14H,1-2H2
InChIKeyOOJNESNZJVMXNF-UHFFFAOYSA-N
MW320.02 g/mol
LogP2.37
Rot. Bonds

About 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol

7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol (PubChem CID 2795009) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol.

Molecular Properties

Compound Name7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
PubChem CID2795009
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
SMILESOC12CC3C4CC5C3C1C(Br)(Br)C5C42
InChIInChI=1S/C11H12Br2O/c12-11(13)8-4-1-3-5-2-10(14,7(3)8)9(11)6(4)5/h3-9,14H,1-2H2
InChIKeyOOJNESNZJVMXNF-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
The IUPAC name of 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol (CID 2795009) is 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol.
What is the SMILES notation for 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
The canonical SMILES for 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol is OC12CC3C4CC5C3C1C(Br)(Br)C5C42.
What is the InChIKey of 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
The InChIKey is OOJNESNZJVMXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c12-11(13)8-4-1-3-5-2-10(14,7(3)8)9(11)6(4)5/h3-9,14H,1-2H2.
What are the key properties of 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol?
7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol has a molecular weight of 320.02 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol is sourced from PubChem (CID 2795009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).