5-bromooct-2-ene

C8H15Br — CID 57219131

IUPAC5-bromooct-2-ene
SMILESCC=CCC(Br)CCC
InChIInChI=1S/C8H15Br/c1-3-5-7-8(9)6-4-2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyFIMNHSDEMIVRLS-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds4

About 5-bromooct-2-ene

5-bromooct-2-ene (PubChem CID 57219131) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 5-bromooct-2-ene.

Molecular Properties

Compound Name5-bromooct-2-ene
PubChem CID57219131
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name5-bromooct-2-ene
SMILESCC=CCC(Br)CCC
InChIInChI=1S/C8H15Br/c1-3-5-7-8(9)6-4-2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyFIMNHSDEMIVRLS-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-ethyloct-2-ene
CID 54276882
(6E)-4-bromoocta-1,6-diene
CID 87341581
(Z)-4-propyloct-6-en-3-amine
CID 89392102
5-bromohex-2-ene
CID 53438987
5-ethenyloct-2-ene
CID 91485843
3-bromohexane
CID 18806
5-butylnon-2-ene
CID 175055679
(Z)-2-propylhex-4-enoic acid
CID 59965143
3-oct-6-en-4-ylcyclopropene
CID 123690910
4-bromodeca-1,8-diene
CID 150882644
trimethyl(oct-6-en-4-yloxy)silane
CID 57047258
3-bromohepta-1,5-diene
CID 123472776

Frequently Asked Questions

What is the IUPAC name of 5-bromooct-2-ene?
The IUPAC name of 5-bromooct-2-ene (CID 57219131) is 5-bromooct-2-ene.
What is the SMILES notation for 5-bromooct-2-ene?
The canonical SMILES for 5-bromooct-2-ene is CC=CCC(Br)CCC.
What is the InChIKey of 5-bromooct-2-ene?
The InChIKey is FIMNHSDEMIVRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-5-7-8(9)6-4-2/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 5-bromooct-2-ene?
5-bromooct-2-ene has a molecular weight of 191.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromooct-2-ene is sourced from PubChem (CID 57219131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).