(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene

C9H15Br — CID 178143445

IUPAC(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
SMILESC/C=C(CC)\C(Br)=C/CC
InChIInChI=1S/C9H15Br/c1-4-7-9(10)8(5-2)6-3/h5,7H,4,6H2,1-3H3/b8-5-,9-7+
InChIKeyFSWDQXOFBKLBQH-ANVCMGODSA-N
MW203.12 g/mol
LogP4.03
Rot. Bonds3

About (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene

(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene (PubChem CID 178143445) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
PubChem CID178143445
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene
SMILESC/C=C(CC)\C(Br)=C/CC
InChIInChI=1S/C9H15Br/c1-4-7-9(10)8(5-2)6-3/h5,7H,4,6H2,1-3H3/b8-5-,9-7+
InChIKeyFSWDQXOFBKLBQH-ANVCMGODSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
3-ethylpent-3-en-2-one
CID 54009630
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238
(3E)-4,5-diethyl-3-methylocta-3,5-diene
CID 177392268
(2Z,5E)-5-bromoocta-2,5-diene
CID 143426867
4-bromohex-4-en-3-one
CID 57358764
(Z)-2-bromopent-2-enal
CID 16664496
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
CID 15329333
4-ethylhept-4-en-3-imine
CID 15439670

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene (CID 178143445) is (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene is C/C=C(CC)\C(Br)=C/CC.
What is the InChIKey of (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene?
The InChIKey is FSWDQXOFBKLBQH-ANVCMGODSA-N. The full InChI is InChI=1S/C9H15Br/c1-4-7-9(10)8(5-2)6-3/h5,7H,4,6H2,1-3H3/b8-5-,9-7+.
What are the key properties of (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene?
(2Z,4E)-4-bromo-3-ethylhepta-2,4-diene has a molecular weight of 203.12 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-bromo-3-ethylhepta-2,4-diene is sourced from PubChem (CID 178143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).