(E)-3-bromooct-4-ene

C8H15Br — CID 88754866

IUPAC(E)-3-bromooct-4-ene
SMILESCCC/C=C/C(Br)CC
InChIInChI=1S/C8H15Br/c1-3-5-6-7-8(9)4-2/h6-8H,3-5H2,1-2H3/b7-6+
InChIKeyNUISHJZOHUGWPN-VOTSOKGWSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds4

About (E)-3-bromooct-4-ene

(E)-3-bromooct-4-ene (PubChem CID 88754866) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (E)-3-bromooct-4-ene.

Molecular Properties

Compound Name(E)-3-bromooct-4-ene
PubChem CID88754866
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(E)-3-bromooct-4-ene
SMILESCCC/C=C/C(Br)CC
InChIInChI=1S/C8H15Br/c1-3-5-6-7-8(9)4-2/h6-8H,3-5H2,1-2H3/b7-6+
InChIKeyNUISHJZOHUGWPN-VOTSOKGWSA-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

(E)-5-bromohept-3-ene
CID 10888461
(Z)-3-fluorooct-4-ene
CID 143337170
(E)-2,3-dimethyloct-4-ene
CID 173368392
(6R)-6-methylnon-4-ene
CID 175484589
(3S,4S)-3-methylnon-5-en-4-amine
CID 57021355
2-bromooct-4-ene
CID 142101254
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
[(1S)-1-hydroxyhex-2-enyl]phosphonic acid
CID 173184084
(E)-6-ethylundec-4-ene
CID 140796673
3-methylocta-1,4-diene
CID 123442447

Frequently Asked Questions

What is the IUPAC name of (E)-3-bromooct-4-ene?
The IUPAC name of (E)-3-bromooct-4-ene (CID 88754866) is (E)-3-bromooct-4-ene.
What is the SMILES notation for (E)-3-bromooct-4-ene?
The canonical SMILES for (E)-3-bromooct-4-ene is CCC/C=C/C(Br)CC.
What is the InChIKey of (E)-3-bromooct-4-ene?
The InChIKey is NUISHJZOHUGWPN-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-5-6-7-8(9)4-2/h6-8H,3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-3-bromooct-4-ene?
(E)-3-bromooct-4-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 (E)-3-bromooct-4-ene is sourced from PubChem (CID 88754866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).