11-bromoundeca-2,4-diene

C11H19Br — CID 168861580

IUPAC11-bromoundeca-2,4-diene
SMILESCC=CC=CCCCCCCBr
InChIInChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3
InChIKeyPWQVHBVOLHXGCG-UHFFFAOYSA-N
MW231.18 g/mol
LogP4.46
Rot. Bonds7

About 11-bromoundeca-2,4-diene

11-bromoundeca-2,4-diene (PubChem CID 168861580) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 11-bromoundeca-2,4-diene.

Molecular Properties

Compound Name11-bromoundeca-2,4-diene
PubChem CID168861580
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name11-bromoundeca-2,4-diene
SMILESCC=CC=CCCCCCCBr
InChIInChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3
InChIKeyPWQVHBVOLHXGCG-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402
(5Z,7E)-15-bromopentadeca-5,7-diene
CID 146189436
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
(2E,4E)-7-bromohepta-2,4-diene
CID 12853153
11-chloroundeca-2,4-diene
CID 168861619
11-iodoundeca-2,4-diene
CID 168861625
1,25-dibromopentacos-12-ene
CID 168864699
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-16-bromohexadec-5-ene
CID 11645149

Frequently Asked Questions

What is the IUPAC name of 11-bromoundeca-2,4-diene?
The IUPAC name of 11-bromoundeca-2,4-diene (CID 168861580) is 11-bromoundeca-2,4-diene.
What is the SMILES notation for 11-bromoundeca-2,4-diene?
The canonical SMILES for 11-bromoundeca-2,4-diene is CC=CC=CCCCCCCBr.
What is the InChIKey of 11-bromoundeca-2,4-diene?
The InChIKey is PWQVHBVOLHXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3.
What are the key properties of 11-bromoundeca-2,4-diene?
11-bromoundeca-2,4-diene has a molecular weight of 231.18 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromoundeca-2,4-diene is sourced from PubChem (CID 168861580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).