1-bromotrideca-1,3-diene

C13H23Br — CID 54061317

IUPAC1-bromotrideca-1,3-diene
SMILESCCCCCCCCCC=CC=CBr
InChIInChI=1S/C13H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h10-13H,2-9H2,1H3
InChIKeyLZXQHRRISBVDFN-UHFFFAOYSA-N
MW259.23 g/mol
LogP5.59
Rot. Bonds9

About 1-bromotrideca-1,3-diene

1-bromotrideca-1,3-diene (PubChem CID 54061317) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-bromotrideca-1,3-diene.

Molecular Properties

Compound Name1-bromotrideca-1,3-diene
PubChem CID54061317
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name1-bromotrideca-1,3-diene
SMILESCCCCCCCCCC=CC=CBr
InChIInChI=1S/C13H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h10-13H,2-9H2,1H3
InChIKeyLZXQHRRISBVDFN-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.23
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
1-bromooctadeca-2,4-diene
CID 139683748
1-iodotetradeca-3,5-diene
CID 168861549
(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
(1E,3E)-1-iodonona-1,3-diene
CID 11096979
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(5E,7E)-13-iodotrideca-5,7-diene
CID 146189527
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
(3E)-1-chlorodeca-1,3-diene
CID 177456739

Frequently Asked Questions

What is the IUPAC name of 1-bromotrideca-1,3-diene?
The IUPAC name of 1-bromotrideca-1,3-diene (CID 54061317) is 1-bromotrideca-1,3-diene.
What is the SMILES notation for 1-bromotrideca-1,3-diene?
The canonical SMILES for 1-bromotrideca-1,3-diene is CCCCCCCCCC=CC=CBr.
What is the InChIKey of 1-bromotrideca-1,3-diene?
The InChIKey is LZXQHRRISBVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h10-13H,2-9H2,1H3.
What are the key properties of 1-bromotrideca-1,3-diene?
1-bromotrideca-1,3-diene has a molecular weight of 259.23 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotrideca-1,3-diene is sourced from PubChem (CID 54061317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).