2-bromo-2,4,4-trimethylpentane

C8H17Br — CID 11435470

IUPAC2-bromo-2,4,4-trimethylpentane
SMILESCC(C)(C)CC(C)(C)Br
InChIInChI=1S/C8H17Br/c1-7(2,3)6-8(4,5)9/h6H2,1-5H3
InChIKeySBJACJNGROKNPT-UHFFFAOYSA-N
MW193.13 g/mol
LogP3.60
Rot. Bonds1

About 2-bromo-2,4,4-trimethylpentane

2-bromo-2,4,4-trimethylpentane (PubChem CID 11435470) has the molecular formula C8H17Br and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-bromo-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-bromo-2,4,4-trimethylpentane
PubChem CID11435470
Molecular FormulaC8H17Br
Molecular Weight193.13 g/mol
Exact Mass192.05
IUPAC Name2-bromo-2,4,4-trimethylpentane
SMILESCC(C)(C)CC(C)(C)Br
InChIInChI=1S/C8H17Br/c1-7(2,3)6-8(4,5)9/h6H2,1-5H3
InChIKeySBJACJNGROKNPT-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-2,4,4-trimethylpentane 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

2,2,4,4,6,6-hexamethylheptane
CID 2795065
4-bromo-2,2,4-trimethylpentanal
CID 88947629
2-(2,2-dimethylpropyl)-2-methylpropanedinitrile
CID 158747755
CID 46939614
CID 46939614
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
2,4,4-trimethylpentan-2-ylazanium
CID 5178672
3-bromo-3,5,5-trimethylheptane
CID 122683982
3,5-dibromo-3,5-dimethylheptane
CID 137445681
1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
CID 158802625
lithium 2,4,4-trimethylpentane-2-thiolate
CID 20660691
2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228
2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,4,4-trimethylpentane?
The IUPAC name of 2-bromo-2,4,4-trimethylpentane (CID 11435470) is 2-bromo-2,4,4-trimethylpentane.
What is the SMILES notation for 2-bromo-2,4,4-trimethylpentane?
The canonical SMILES for 2-bromo-2,4,4-trimethylpentane is CC(C)(C)CC(C)(C)Br.
What is the InChIKey of 2-bromo-2,4,4-trimethylpentane?
The InChIKey is SBJACJNGROKNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Br/c1-7(2,3)6-8(4,5)9/h6H2,1-5H3.
What are the key properties of 2-bromo-2,4,4-trimethylpentane?
2-bromo-2,4,4-trimethylpentane has a molecular weight of 193.13 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,4,4-trimethylpentane is sourced from PubChem (CID 11435470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).