(2E,5E)-1-bromoundeca-2,5-diene

C11H19Br — CID 13055613

IUPAC(2E,5E)-1-bromoundeca-2,5-diene
SMILESCCCCC/C=C/C/C=C/CBr
InChIInChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-10H,2-5,8,11H2,1H3/b7-6+,10-9+
InChIKeyWMCGPKWLWGWRCP-AVQMFFATSA-N
MW231.18 g/mol
LogP4.46
Rot. Bonds7

About (2E,5E)-1-bromoundeca-2,5-diene

(2E,5E)-1-bromoundeca-2,5-diene (PubChem CID 13055613) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (2E,5E)-1-bromoundeca-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-1-bromoundeca-2,5-diene
PubChem CID13055613
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(2E,5E)-1-bromoundeca-2,5-diene
SMILESCCCCC/C=C/C/C=C/CBr
InChIInChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-10H,2-5,8,11H2,1H3/b7-6+,10-9+
InChIKeyWMCGPKWLWGWRCP-AVQMFFATSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromonon-2-ene
CID 54029005
1-bromononadec-2-ene
CID 174854290
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-1-bromoundeca-2,5-diene?
The IUPAC name of (2E,5E)-1-bromoundeca-2,5-diene (CID 13055613) is (2E,5E)-1-bromoundeca-2,5-diene.
What is the SMILES notation for (2E,5E)-1-bromoundeca-2,5-diene?
The canonical SMILES for (2E,5E)-1-bromoundeca-2,5-diene is CCCCC/C=C/C/C=C/CBr.
What is the InChIKey of (2E,5E)-1-bromoundeca-2,5-diene?
The InChIKey is WMCGPKWLWGWRCP-AVQMFFATSA-N. The full InChI is InChI=1S/C11H19Br/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-10H,2-5,8,11H2,1H3/b7-6+,10-9+.
What are the key properties of (2E,5E)-1-bromoundeca-2,5-diene?
(2E,5E)-1-bromoundeca-2,5-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 (2E,5E)-1-bromoundeca-2,5-diene is sourced from PubChem (CID 13055613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).