(8Z,10E)-11-bromoundeca-8,10-dien-5-one

C11H17BrO — CID 10634083

IUPAC(8Z,10E)-11-bromoundeca-8,10-dien-5-one
SMILESCCCCC(=O)CC/C=C\C=C\Br
InChIInChI=1S/C11H17BrO/c1-2-3-8-11(13)9-6-4-5-7-10-12/h4-5,7,10H,2-3,6,8-9H2,1H3/b5-4-,10-7+
InChIKeyZSMIDWIAVJNQGM-DOIONKORSA-N
MW245.16 g/mol
LogP3.99
Rot. Bonds7

About (8Z,10E)-11-bromoundeca-8,10-dien-5-one

(8Z,10E)-11-bromoundeca-8,10-dien-5-one (PubChem CID 10634083) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is (8Z,10E)-11-bromoundeca-8,10-dien-5-one.

Molecular Properties

Compound Name(8Z,10E)-11-bromoundeca-8,10-dien-5-one
PubChem CID10634083
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name(8Z,10E)-11-bromoundeca-8,10-dien-5-one
SMILESCCCCC(=O)CC/C=C\C=C\Br
InChIInChI=1S/C11H17BrO/c1-2-3-8-11(13)9-6-4-5-7-10-12/h4-5,7,10H,2-3,6,8-9H2,1H3/b5-4-,10-7+
InChIKeyZSMIDWIAVJNQGM-DOIONKORSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z,10E)-11-bromoundeca-8,10-dien-5-one?
The IUPAC name of (8Z,10E)-11-bromoundeca-8,10-dien-5-one (CID 10634083) is (8Z,10E)-11-bromoundeca-8,10-dien-5-one.
What is the SMILES notation for (8Z,10E)-11-bromoundeca-8,10-dien-5-one?
The canonical SMILES for (8Z,10E)-11-bromoundeca-8,10-dien-5-one is CCCCC(=O)CC/C=C\C=C\Br.
What is the InChIKey of (8Z,10E)-11-bromoundeca-8,10-dien-5-one?
The InChIKey is ZSMIDWIAVJNQGM-DOIONKORSA-N. The full InChI is InChI=1S/C11H17BrO/c1-2-3-8-11(13)9-6-4-5-7-10-12/h4-5,7,10H,2-3,6,8-9H2,1H3/b5-4-,10-7+.
What are the key properties of (8Z,10E)-11-bromoundeca-8,10-dien-5-one?
(8Z,10E)-11-bromoundeca-8,10-dien-5-one has a molecular weight of 245.16 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10E)-11-bromoundeca-8,10-dien-5-one is sourced from PubChem (CID 10634083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).