(3E,5Z)-2,4-dibromohepta-1,3,5-triene

C7H8Br2 — CID 156818612

IUPAC(3E,5Z)-2,4-dibromohepta-1,3,5-triene
SMILESC=C(Br)/C=C(Br)\C=C/C
InChIInChI=1S/C7H8Br2/c1-3-4-7(9)5-6(2)8/h3-5H,2H2,1H3/b4-3-,7-5+
InChIKeyPDDZDVPVOUFOCJ-QVXLNCAUSA-N
MW251.95 g/mol
LogP3.75
Rot. Bonds2

About (3E,5Z)-2,4-dibromohepta-1,3,5-triene

(3E,5Z)-2,4-dibromohepta-1,3,5-triene (PubChem CID 156818612) has the molecular formula C7H8Br2 and a molecular weight of 251.95 g/mol. Its IUPAC name is (3E,5Z)-2,4-dibromohepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-2,4-dibromohepta-1,3,5-triene
PubChem CID156818612
Molecular FormulaC7H8Br2
Molecular Weight251.95 g/mol
Exact Mass249.90
IUPAC Name(3E,5Z)-2,4-dibromohepta-1,3,5-triene
SMILESC=C(Br)/C=C(Br)\C=C/C
InChIInChI=1S/C7H8Br2/c1-3-4-7(9)5-6(2)8/h3-5H,2H2,1H3/b4-3-,7-5+
InChIKeyPDDZDVPVOUFOCJ-QVXLNCAUSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.95
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2-bromopenta-1,3-diene
CID 89363869
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(4E,6Z)-1,5-dibromo-3-methylideneocta-4,6-dien-1-yne
CID 166937977
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(4E,6Z)-5-bromo-2-methylocta-2,4,6-triene
CID 142113249
5-bromo-2-methylocta-2,4,6-triene
CID 90964929
(2E)-4-bromo-N-tert-butylsulfanyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;ethane
CID 171086406
(3Z,5Z)-4-bromo-2-methylhepta-1,3,5-trien-3-ol
CID 88945187
N-[(3E,5Z)-4-bromohepta-1,3,5-trien-2-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 168985200
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,4-dibromohepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-2,4-dibromohepta-1,3,5-triene (CID 156818612) is (3E,5Z)-2,4-dibromohepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-2,4-dibromohepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-2,4-dibromohepta-1,3,5-triene is C=C(Br)/C=C(Br)\C=C/C.
What is the InChIKey of (3E,5Z)-2,4-dibromohepta-1,3,5-triene?
The InChIKey is PDDZDVPVOUFOCJ-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H8Br2/c1-3-4-7(9)5-6(2)8/h3-5H,2H2,1H3/b4-3-,7-5+.
What are the key properties of (3E,5Z)-2,4-dibromohepta-1,3,5-triene?
(3E,5Z)-2,4-dibromohepta-1,3,5-triene has a molecular weight of 251.95 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,4-dibromohepta-1,3,5-triene is sourced from PubChem (CID 156818612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).