(2Z,5E)-5-bromoocta-2,5-diene

C8H13Br — CID 143426867

IUPAC(2Z,5E)-5-bromoocta-2,5-diene
SMILESC/C=C\C/C(Br)=C\CC
InChIInChI=1S/C8H13Br/c1-3-5-7-8(9)6-4-2/h3,5-6H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyJOBQNGVVLPOCGP-CUKJDEOPSA-N
MW189.10 g/mol
LogP3.64
Rot. Bonds3

About (2Z,5E)-5-bromoocta-2,5-diene

(2Z,5E)-5-bromoocta-2,5-diene (PubChem CID 143426867) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (2Z,5E)-5-bromoocta-2,5-diene.

Molecular Properties

Compound Name(2Z,5E)-5-bromoocta-2,5-diene
PubChem CID143426867
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(2Z,5E)-5-bromoocta-2,5-diene
SMILESC/C=C\C/C(Br)=C\CC
InChIInChI=1S/C8H13Br/c1-3-5-7-8(9)6-4-2/h3,5-6H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyJOBQNGVVLPOCGP-CUKJDEOPSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,5Z)-5-propylocta-2,5-diene
CID 142206656
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
3-methylhepta-2,5-dien-1-ol
CID 167443292
(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
CID 178143445
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
methyl (12Z,15Z)-13-bromo-9-oxooctadeca-12,15-dienoate
CID 11211384
(4E)-2-methylhexa-1,4-diene
CID 5367524
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
3-iodohex-3-ene;penta-1,3-diene
CID 173447281
(3E,21E)-tricosa-3,21-dien-4-ol
CID 174283265

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-bromoocta-2,5-diene?
The IUPAC name of (2Z,5E)-5-bromoocta-2,5-diene (CID 143426867) is (2Z,5E)-5-bromoocta-2,5-diene.
What is the SMILES notation for (2Z,5E)-5-bromoocta-2,5-diene?
The canonical SMILES for (2Z,5E)-5-bromoocta-2,5-diene is C/C=C\C/C(Br)=C\CC.
What is the InChIKey of (2Z,5E)-5-bromoocta-2,5-diene?
The InChIKey is JOBQNGVVLPOCGP-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H13Br/c1-3-5-7-8(9)6-4-2/h3,5-6H,4,7H2,1-2H3/b5-3-,8-6+.
What are the key properties of (2Z,5E)-5-bromoocta-2,5-diene?
(2Z,5E)-5-bromoocta-2,5-diene has a molecular weight of 189.10 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-bromoocta-2,5-diene is sourced from PubChem (CID 143426867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).