(E)-1-bromoundec-5-ene

C11H21Br — CID 13044969

IUPAC(E)-1-bromoundec-5-ene
SMILESCCCCC/C=C/CCCCBr
InChIInChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7H,2-5,8-11H2,1H3/b7-6+
InChIKeyUJNPPRIHPYBPQB-VOTSOKGWSA-N
MW233.19 g/mol
LogP4.69
Rot. Bonds8

About (E)-1-bromoundec-5-ene

(E)-1-bromoundec-5-ene (PubChem CID 13044969) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is (E)-1-bromoundec-5-ene.

Molecular Properties

Compound Name(E)-1-bromoundec-5-ene
PubChem CID13044969
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name(E)-1-bromoundec-5-ene
SMILESCCCCC/C=C/CCCCBr
InChIInChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7H,2-5,8-11H2,1H3/b7-6+
InChIKeyUJNPPRIHPYBPQB-VOTSOKGWSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.69
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

(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688
(Z)-16-bromohexadec-5-ene
CID 11645149
(E)-15-bromopentadec-5-ene
CID 14309355
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
1-bromoundec-3-ene
CID 54069038
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402
(5Z,7E)-15-bromopentadeca-5,7-diene
CID 146189436

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromoundec-5-ene?
The IUPAC name of (E)-1-bromoundec-5-ene (CID 13044969) is (E)-1-bromoundec-5-ene.
What is the SMILES notation for (E)-1-bromoundec-5-ene?
The canonical SMILES for (E)-1-bromoundec-5-ene is CCCCC/C=C/CCCCBr.
What is the InChIKey of (E)-1-bromoundec-5-ene?
The InChIKey is UJNPPRIHPYBPQB-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7H,2-5,8-11H2,1H3/b7-6+.
What are the key properties of (E)-1-bromoundec-5-ene?
(E)-1-bromoundec-5-ene has a molecular weight of 233.19 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromoundec-5-ene is sourced from PubChem (CID 13044969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).