(2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene

C14H24Br2 — CID 11068150

IUPAC(2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene
SMILESCC(C)(C)/C(=C/C(=C\CBr)C(C)(C)C)CBr
InChIInChI=1S/C14H24Br2/c1-13(2,3)11(7-8-15)9-12(10-16)14(4,5)6/h7,9H,8,10H2,1-6H3/b11-7+,12-9+
InChIKeyPHCOZGGJLCIRGE-HNWKWBPYSA-N
MW352.15 g/mol
LogP5.72
Rot. Bonds3

About (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene

(2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene (PubChem CID 11068150) has the molecular formula C14H24Br2 and a molecular weight of 352.15 g/mol. Its IUPAC name is (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene
PubChem CID11068150
Molecular FormulaC14H24Br2
Molecular Weight352.15 g/mol
Exact Mass350.02
IUPAC Name(2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene
SMILESCC(C)(C)/C(=C/C(=C\CBr)C(C)(C)C)CBr
InChIInChI=1S/C14H24Br2/c1-13(2,3)11(7-8-15)9-12(10-16)14(4,5)6/h7,9H,8,10H2,1-6H3/b11-7+,12-9+
InChIKeyPHCOZGGJLCIRGE-HNWKWBPYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.15
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-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

5-Bromo-2,2,4-trimethylbenzene
CID 70120358
3,6-Bis(bromomethyl)-1,3,4,6-tetramethylcyclohexa-1,4-diene
CID 91267645
Ortho-dibromomethylxylene
CID 139238323
(z)-1,1-Dibromo-3-(bromomethyl)-4,4-dimethylpent-2-ene
CID 177865509
7-Bromo-2,4,4-trimethylhept-2-ene
CID 170848295
(2E,4Z)-1,6-dibromo-3-tert-butylhexa-2,4-diene
CID 10859407
6-Bromo-2-tert-butyl-6-ethenylcyclohexa-1,3-diene
CID 21403555
1,5-Dibromo-3-[2-(3,5-dibromocyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-diene
CID 22377410
1-Bromo-3,7,7-trimethyl-2,4-octadiene
CID 54482468
(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730092
(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene
CID 59405765
2,5-Bis(bromomethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 67239697

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene (CID 11068150) is (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene is CC(C)(C)/C(=C/C(=C\CBr)C(C)(C)C)CBr.
What is the InChIKey of (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene?
The InChIKey is PHCOZGGJLCIRGE-HNWKWBPYSA-N. The full InChI is InChI=1S/C14H24Br2/c1-13(2,3)11(7-8-15)9-12(10-16)14(4,5)6/h7,9H,8,10H2,1-6H3/b11-7+,12-9+.
What are the key properties of (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene?
(2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene has a molecular weight of 352.15 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-bromo-5-(bromomethyl)-3-tert-butyl-6,6-dimethylhepta-2,4-diene is sourced from PubChem (CID 11068150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).