1-bromooctadeca-2,4-diene

C18H33Br — CID 139683748

IUPAC1-bromooctadeca-2,4-diene
SMILESCCCCCCCCCCCCCC=CC=CCBr
InChIInChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-17H,2-13,18H2,1H3
InChIKeyIIHROGMKKINTIW-UHFFFAOYSA-N
MW329.37 g/mol
LogP7.19
Rot. Bonds14

About 1-bromooctadeca-2,4-diene

1-bromooctadeca-2,4-diene (PubChem CID 139683748) has the molecular formula C18H33Br and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-bromooctadeca-2,4-diene.

Molecular Properties

Compound Name1-bromooctadeca-2,4-diene
PubChem CID139683748
Molecular FormulaC18H33Br
Molecular Weight329.37 g/mol
Exact Mass328.18
IUPAC Name1-bromooctadeca-2,4-diene
SMILESCCCCCCCCCCCCCC=CC=CCBr
InChIInChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-17H,2-13,18H2,1H3
InChIKeyIIHROGMKKINTIW-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 57.19
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

1-bromododeca-2,4,6-triene
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(22E)-heptatetraconta-22,24-diene
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(7E,9E)-18-bromooctadeca-7,9-diene
CID 14606014
1-bromonon-2-ene
CID 54029005
1-bromononadec-2-ene
CID 174854290
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
(5Z,7E)-21-bromohenicosa-5,7-diene
CID 146189402
(5Z,7E)-15-bromopentadeca-5,7-diene
CID 146189436
1-bromotrideca-1,3-diene
CID 54061317
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251

Frequently Asked Questions

What is the IUPAC name of 1-bromooctadeca-2,4-diene?
The IUPAC name of 1-bromooctadeca-2,4-diene (CID 139683748) is 1-bromooctadeca-2,4-diene.
What is the SMILES notation for 1-bromooctadeca-2,4-diene?
The canonical SMILES for 1-bromooctadeca-2,4-diene is CCCCCCCCCCCCCC=CC=CCBr.
What is the InChIKey of 1-bromooctadeca-2,4-diene?
The InChIKey is IIHROGMKKINTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h14-17H,2-13,18H2,1H3.
What are the key properties of 1-bromooctadeca-2,4-diene?
1-bromooctadeca-2,4-diene has a molecular weight of 329.37 g/mol, XLogP of 7.19, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromooctadeca-2,4-diene is sourced from PubChem (CID 139683748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).