(E)-1-bromooct-4-ene

C8H15Br — CID 11367510

IUPAC(E)-1-bromooct-4-ene
SMILESCCC/C=C/CCCBr
InChIInChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h4-5H,2-3,6-8H2,1H3/b5-4+
InChIKeyOMCYIWCZZOSRCL-SNAWJCMRSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds5

About (E)-1-bromooct-4-ene

(E)-1-bromooct-4-ene (PubChem CID 11367510) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (E)-1-bromooct-4-ene.

Molecular Properties

Compound Name(E)-1-bromooct-4-ene
PubChem CID11367510
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(E)-1-bromooct-4-ene
SMILESCCC/C=C/CCCBr
InChIInChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h4-5H,2-3,6-8H2,1H3/b5-4+
InChIKeyOMCYIWCZZOSRCL-SNAWJCMRSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromooct-4-ene?
The IUPAC name of (E)-1-bromooct-4-ene (CID 11367510) is (E)-1-bromooct-4-ene.
What is the SMILES notation for (E)-1-bromooct-4-ene?
The canonical SMILES for (E)-1-bromooct-4-ene is CCC/C=C/CCCBr.
What is the InChIKey of (E)-1-bromooct-4-ene?
The InChIKey is OMCYIWCZZOSRCL-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h4-5H,2-3,6-8H2,1H3/b5-4+.
What are the key properties of (E)-1-bromooct-4-ene?
(E)-1-bromooct-4-ene has a molecular weight of 191.11 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromooct-4-ene is sourced from PubChem (CID 11367510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).