(E)-5-bromododec-3-ene

C12H23Br — CID 88753626

IUPAC(E)-5-bromododec-3-ene
SMILESCC/C=C/C(Br)CCCCCCC
InChIInChI=1S/C12H23Br/c1-3-5-7-8-9-11-12(13)10-6-4-2/h6,10,12H,3-5,7-9,11H2,1-2H3/b10-6+
InChIKeyZLMKKDKHRKFFGE-UXBLZVDNSA-N
MW247.22 g/mol
LogP5.08
Rot. Bonds8

About (E)-5-bromododec-3-ene

(E)-5-bromododec-3-ene (PubChem CID 88753626) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is (E)-5-bromododec-3-ene.

Molecular Properties

Compound Name(E)-5-bromododec-3-ene
PubChem CID88753626
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name(E)-5-bromododec-3-ene
SMILESCC/C=C/C(Br)CCCCCCC
InChIInChI=1S/C12H23Br/c1-3-5-7-8-9-11-12(13)10-6-4-2/h6,10,12H,3-5,7-9,11H2,1-2H3/b10-6+
InChIKeyZLMKKDKHRKFFGE-UXBLZVDNSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.22
LogP ≤ 55.08
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'}

Analyze (E)-5-bromododec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2,5-dibromodec-3-ene
CID 88755062
(E)-5-methyldodec-3-ene
CID 173194511
6-but-1-enylundecane
CID 91155625
octadec-3-en-5-ol
CID 144649733
3-bromoundec-1-ene
CID 15852002
(E)-5-bromohept-3-ene
CID 10888461
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
(E,5S)-5-methylnon-3-ene
CID 101420891
(E)-6-methylhexadec-3-ene
CID 173194211
1-bromooctan-1-amine
CID 87659812
1-bromohexadecan-1-ol
CID 22463419

Frequently Asked Questions

What is the IUPAC name of (E)-5-bromododec-3-ene?
The IUPAC name of (E)-5-bromododec-3-ene (CID 88753626) is (E)-5-bromododec-3-ene.
What is the SMILES notation for (E)-5-bromododec-3-ene?
The canonical SMILES for (E)-5-bromododec-3-ene is CC/C=C/C(Br)CCCCCCC.
What is the InChIKey of (E)-5-bromododec-3-ene?
The InChIKey is ZLMKKDKHRKFFGE-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H23Br/c1-3-5-7-8-9-11-12(13)10-6-4-2/h6,10,12H,3-5,7-9,11H2,1-2H3/b10-6+.
What are the key properties of (E)-5-bromododec-3-ene?
(E)-5-bromododec-3-ene has a molecular weight of 247.22 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-bromododec-3-ene is sourced from PubChem (CID 88753626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).