10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

C15H22Br2O — CID 85161429

IUPAC10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESCC1=CCC(C)(C)C=CC(=O)C(C)(Br)C(Br)CC1
InChIInChI=1S/C15H22Br2O/c1-11-5-6-12(16)15(4,17)13(18)8-10-14(2,3)9-7-11/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyRPVBCYODWHINTB-UHFFFAOYSA-N
MW378.15 g/mol
LogP5.19
Rot. Bonds

About 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (PubChem CID 85161429) has the molecular formula C15H22Br2O and a molecular weight of 378.15 g/mol. Its IUPAC name is 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.

Molecular Properties

Compound Name10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
PubChem CID85161429
Molecular FormulaC15H22Br2O
Molecular Weight378.15 g/mol
Exact Mass376.00
IUPAC Name10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESCC1=CCC(C)(C)C=CC(=O)C(C)(Br)C(Br)CC1
InChIInChI=1S/C15H22Br2O/c1-11-5-6-12(16)15(4,17)13(18)8-10-14(2,3)9-7-11/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyRPVBCYODWHINTB-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.15
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 10499849
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357
N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
CID 52941926
(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
CID 177497934
(3E,7E,11E)-5,5,8,12-tetramethyl-1-azacyclododeca-3,7,11-trien-2-one
CID 102526052
(2E,6E,11R)-4,4,7,11-tetramethyl-10-(4-phenylphenyl)cycloundeca-2,6-dien-1-one
CID 177419680
(2E,6E)-10-(5-bromo-2,4-dimethoxyphenyl)-4,4,7-trimethyl-11-methylidenecycloundeca-2,6-dien-1-one
CID 76853394
5,5,8-trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carbaldehyde
CID 162992711
2-bromo-5,5-dimethylcyclohexa-1,3-diene
CID 101127342
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 24798693
(1Z,5E,8E)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carbaldehyde
CID 155934100
(2E,6Z)-2,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 91749786

Frequently Asked Questions

What is the IUPAC name of 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The IUPAC name of 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (CID 85161429) is 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.
What is the SMILES notation for 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The canonical SMILES for 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is CC1=CCC(C)(C)C=CC(=O)C(C)(Br)C(Br)CC1.
What is the InChIKey of 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The InChIKey is RPVBCYODWHINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2O/c1-11-5-6-12(16)15(4,17)13(18)8-10-14(2,3)9-7-11/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one has a molecular weight of 378.15 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dibromo-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is sourced from PubChem (CID 85161429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).