oct-1-ene;hydrobromide

C8H17Br — CID 88838560

IUPACoct-1-ene;hydrobromide
SMILESBr.C=CCCCCCC
InChIInChI=1S/C8H16.BrH/c1-3-5-7-8-6-4-2;/h3H,1,4-8H2,2H3;1H
InChIKeySPANWKVYSJOMRV-UHFFFAOYSA-N
MW193.13 g/mol
LogP3.72
Rot. Bonds5

About oct-1-ene;hydrobromide

oct-1-ene;hydrobromide (PubChem CID 88838560) has the molecular formula C8H17Br and a molecular weight of 193.13 g/mol. Its IUPAC name is oct-1-ene;hydrobromide.

Molecular Properties

Compound Nameoct-1-ene;hydrobromide
PubChem CID88838560
Molecular FormulaC8H17Br
Molecular Weight193.13 g/mol
Exact Mass192.05
IUPAC Nameoct-1-ene;hydrobromide
SMILESBr.C=CCCCCCC
InChIInChI=1S/C8H16.BrH/c1-3-5-7-8-6-4-2;/h3H,1,4-8H2,2H3;1H
InChIKeySPANWKVYSJOMRV-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azane;undec-1-ene;hydrobromide
CID 175982130
non-1-ene
CID 141296734
hexane;octadec-1-ene
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octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238
potassium;hydride;octadec-1-ene
CID 175063573

Frequently Asked Questions

What is the IUPAC name of oct-1-ene;hydrobromide?
The IUPAC name of oct-1-ene;hydrobromide (CID 88838560) is oct-1-ene;hydrobromide.
What is the SMILES notation for oct-1-ene;hydrobromide?
The canonical SMILES for oct-1-ene;hydrobromide is Br.C=CCCCCCC.
What is the InChIKey of oct-1-ene;hydrobromide?
The InChIKey is SPANWKVYSJOMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.BrH/c1-3-5-7-8-6-4-2;/h3H,1,4-8H2,2H3;1H.
What are the key properties of oct-1-ene;hydrobromide?
oct-1-ene;hydrobromide has a molecular weight of 193.13 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-ene;hydrobromide is sourced from PubChem (CID 88838560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).