5-(bromomethyl)-2,2,6-trimethylheptane

C11H23Br — CID 66043444

IUPAC5-(bromomethyl)-2,2,6-trimethylheptane
SMILESCC(C)C(CBr)CCC(C)(C)C
InChIInChI=1S/C11H23Br/c1-9(2)10(8-12)6-7-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyJLVOWUYCIQLOHE-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.48
Rot. Bonds4

About 5-(bromomethyl)-2,2,6-trimethylheptane

5-(bromomethyl)-2,2,6-trimethylheptane (PubChem CID 66043444) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-(bromomethyl)-2,2,6-trimethylheptane.

Molecular Properties

Compound Name5-(bromomethyl)-2,2,6-trimethylheptane
PubChem CID66043444
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name5-(bromomethyl)-2,2,6-trimethylheptane
SMILESCC(C)C(CBr)CCC(C)(C)C
InChIInChI=1S/C11H23Br/c1-9(2)10(8-12)6-7-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyJLVOWUYCIQLOHE-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2,2,6-trimethylheptane 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

5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
3-(bromomethyl)-2,2,6,6-tetramethylheptane
CID 83143081
N-ethyl-5,5-dimethyl-2-propan-2-ylhexan-1-amine
CID 62528162
methane;2,2,6-trimethyl-5-propan-2-ylheptane
CID 160668864
2,6,6-trimethylheptan-3-ol
CID 20577986
5-ethyl-2,2,6-trimethylnonane
CID 57492048
2,2,7,7-tetramethyl-4-propan-2-ylnonane
CID 123845621
3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
CID 106459621
2,2,5-trimethyl-11-propan-2-ylpentadecane
CID 123879989
2,2-dimethyl-5-propan-2-yloctane;methane;2,2,5-trimethylheptane;2,2,5-trimethylnonane
CID 158588329
2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
1-bromo-3-methyl-2-(methylsulfanylmethyl)butane
CID 65012065

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2,2,6-trimethylheptane?
The IUPAC name of 5-(bromomethyl)-2,2,6-trimethylheptane (CID 66043444) is 5-(bromomethyl)-2,2,6-trimethylheptane.
What is the SMILES notation for 5-(bromomethyl)-2,2,6-trimethylheptane?
The canonical SMILES for 5-(bromomethyl)-2,2,6-trimethylheptane is CC(C)C(CBr)CCC(C)(C)C.
What is the InChIKey of 5-(bromomethyl)-2,2,6-trimethylheptane?
The InChIKey is JLVOWUYCIQLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-9(2)10(8-12)6-7-11(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-(bromomethyl)-2,2,6-trimethylheptane?
5-(bromomethyl)-2,2,6-trimethylheptane has a molecular weight of 235.21 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2,2,6-trimethylheptane is sourced from PubChem (CID 66043444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).