9-bromooctadec-1-ene

C18H35Br — CID 167439794

IUPAC9-bromooctadec-1-ene
SMILESC=CCCCCCCC(Br)CCCCCCCCC
InChIInChI=1S/C18H35Br/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyDYLSXRYSSDJPIN-UHFFFAOYSA-N
MW331.38 g/mol
LogP7.42
Rot. Bonds15

About 9-bromooctadec-1-ene

9-bromooctadec-1-ene (PubChem CID 167439794) has the molecular formula C18H35Br and a molecular weight of 331.38 g/mol. Its IUPAC name is 9-bromooctadec-1-ene.

Molecular Properties

Compound Name9-bromooctadec-1-ene
PubChem CID167439794
Molecular FormulaC18H35Br
Molecular Weight331.38 g/mol
Exact Mass330.19
IUPAC Name9-bromooctadec-1-ene
SMILESC=CCCCCCCC(Br)CCCCCCCCC
InChIInChI=1S/C18H35Br/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyDYLSXRYSSDJPIN-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 57.42
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

11-bromohenicosa-1,20-diene
CID 102253799
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
6-bromopentadecane
CID 86639780
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
12-bromodotriacontane
CID 122613066
octadecane;octadec-1-ene
CID 162018238

Frequently Asked Questions

What is the IUPAC name of 9-bromooctadec-1-ene?
The IUPAC name of 9-bromooctadec-1-ene (CID 167439794) is 9-bromooctadec-1-ene.
What is the SMILES notation for 9-bromooctadec-1-ene?
The canonical SMILES for 9-bromooctadec-1-ene is C=CCCCCCCC(Br)CCCCCCCCC.
What is the InChIKey of 9-bromooctadec-1-ene?
The InChIKey is DYLSXRYSSDJPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35Br/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h4,18H,2-3,5-17H2,1H3.
What are the key properties of 9-bromooctadec-1-ene?
9-bromooctadec-1-ene has a molecular weight of 331.38 g/mol, XLogP of 7.42, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromooctadec-1-ene is sourced from PubChem (CID 167439794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).