6-bromo-2,5-dimethylhex-1-ene

C8H15Br — CID 21399079

IUPAC6-bromo-2,5-dimethylhex-1-ene
SMILESC=C(C)CCC(C)CBr
InChIInChI=1S/C8H15Br/c1-7(2)4-5-8(3)6-9/h8H,1,4-6H2,2-3H3
InChIKeySKFIPHNURKHWTP-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds4

About 6-bromo-2,5-dimethylhex-1-ene

6-bromo-2,5-dimethylhex-1-ene (PubChem CID 21399079) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-bromo-2,5-dimethylhex-1-ene.

Molecular Properties

Compound Name6-bromo-2,5-dimethylhex-1-ene
PubChem CID21399079
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name6-bromo-2,5-dimethylhex-1-ene
SMILESC=C(C)CCC(C)CBr
InChIInChI=1S/C8H15Br/c1-7(2)4-5-8(3)6-9/h8H,1,4-6H2,2-3H3
InChIKeySKFIPHNURKHWTP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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'}

Analyze 6-bromo-2,5-dimethylhex-1-ene 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

1-Hexene, 2-(bromomethyl)-
CID 11829979
6-Bromo-2-methylhex-1-ene
CID 12480856
7-Bromo-2-methylhept-1-ene
CID 71373360
2-(Bromomethyl)hept-1-ene
CID 357789
2-(Bromomethyl)-4,4-dimethylpent-1-ene
CID 13485238
(E)-1-bromo-2,4-dimethylpent-1-ene
CID 133678571
(Z)-1-bromo-2,5-dimethylhex-1-ene
CID 170848475
4-Bromo-6-methylhept-1-ene
CID 21619184
1-Bromo-3-methylideneheptane
CID 57170526
2-[Bromo(fluoro)methyl]-4-ethylhex-1-ene
CID 167149848
7-Bromo-3-methylhept-1-ene
CID 15176371
(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene
CID 15609390

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,5-dimethylhex-1-ene?
The IUPAC name of 6-bromo-2,5-dimethylhex-1-ene (CID 21399079) is 6-bromo-2,5-dimethylhex-1-ene.
What is the SMILES notation for 6-bromo-2,5-dimethylhex-1-ene?
The canonical SMILES for 6-bromo-2,5-dimethylhex-1-ene is C=C(C)CCC(C)CBr.
What is the InChIKey of 6-bromo-2,5-dimethylhex-1-ene?
The InChIKey is SKFIPHNURKHWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-7(2)4-5-8(3)6-9/h8H,1,4-6H2,2-3H3.
What are the key properties of 6-bromo-2,5-dimethylhex-1-ene?
6-bromo-2,5-dimethylhex-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,5-dimethylhex-1-ene is sourced from PubChem (CID 21399079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).