1-bromo-4,4-dimethylpent-2-ene

C7H13Br — CID 71373616

IUPAC1-bromo-4,4-dimethylpent-2-ene
SMILESCC(C)(C)C=CCBr
InChIInChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3
InChIKeyINKPIDICTIUUHE-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.98
Rot. Bonds1

About 1-bromo-4,4-dimethylpent-2-ene

1-bromo-4,4-dimethylpent-2-ene (PubChem CID 71373616) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 1-bromo-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name1-bromo-4,4-dimethylpent-2-ene
PubChem CID71373616
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name1-bromo-4,4-dimethylpent-2-ene
SMILESCC(C)(C)C=CCBr
InChIInChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3
InChIKeyINKPIDICTIUUHE-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.98
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 1-bromo-4,4-dimethylpent-2-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

(E)-2,2-dimethylhex-3-ene
CID 5357261
4,4-dimethylpent-2-enylboronic acid
CID 4185895
(E)-2,2-dimethylhept-3-ene
CID 5352650
(Z)-5,5-dimethylhex-3-en-1-ol
CID 117268008
CID 168724040
CID 168724040
2,2,6,6,7,7-hexamethyloct-3-ene
CID 140627496
(Z)-5,5-dimethylhex-3-enenitrile
CID 643805
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine
CID 13445284
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
3-bromoprop-1-enyl-tert-butyl-dimethylsilane
CID 71422698
(3E,5Z)-10,10-dimethylundeca-3,5,8-triene
CID 143682168
4,4-dimethyl-N-propan-2-ylpent-2-en-1-amine
CID 79007017

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,4-dimethylpent-2-ene?
The IUPAC name of 1-bromo-4,4-dimethylpent-2-ene (CID 71373616) is 1-bromo-4,4-dimethylpent-2-ene.
What is the SMILES notation for 1-bromo-4,4-dimethylpent-2-ene?
The canonical SMILES for 1-bromo-4,4-dimethylpent-2-ene is CC(C)(C)C=CCBr.
What is the InChIKey of 1-bromo-4,4-dimethylpent-2-ene?
The InChIKey is INKPIDICTIUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3.
What are the key properties of 1-bromo-4,4-dimethylpent-2-ene?
1-bromo-4,4-dimethylpent-2-ene has a molecular weight of 177.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,4-dimethylpent-2-ene is sourced from PubChem (CID 71373616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).