4-(bromomethyl)-4-methylnonane

C11H23Br — CID 66048915

IUPAC4-(bromomethyl)-4-methylnonane
SMILESCCCCCC(C)(CBr)CCC
InChIInChI=1S/C11H23Br/c1-4-6-7-9-11(3,10-12)8-5-2/h4-10H2,1-3H3
InChIKeyDFKFPLMRGXHHGU-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.77
Rot. Bonds7

About 4-(bromomethyl)-4-methylnonane

4-(bromomethyl)-4-methylnonane (PubChem CID 66048915) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-(bromomethyl)-4-methylnonane.

Molecular Properties

Compound Name4-(bromomethyl)-4-methylnonane
PubChem CID66048915
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name4-(bromomethyl)-4-methylnonane
SMILESCCCCCC(C)(CBr)CCC
InChIInChI=1S/C11H23Br/c1-4-6-7-9-11(3,10-12)8-5-2/h4-10H2,1-3H3
InChIKeyDFKFPLMRGXHHGU-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-4-methylnonane 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

4-methyl-4-propylnonane
CID 54241684
ethane;4-ethyl-4-methylnonane
CID 164538733
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
2-methyl-2-propyldecan-1-ol
CID 66025468
2-methyl-2-propyldodecan-1-amine
CID 55195079
5-butyl-5-methylpentadecane
CID 174700907
1-bromo-2,2-dimethyldecane
CID 66048838
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
4,4-bis(bromomethyl)undecane
CID 79453128

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-methylnonane?
The IUPAC name of 4-(bromomethyl)-4-methylnonane (CID 66048915) is 4-(bromomethyl)-4-methylnonane.
What is the SMILES notation for 4-(bromomethyl)-4-methylnonane?
The canonical SMILES for 4-(bromomethyl)-4-methylnonane is CCCCCC(C)(CBr)CCC.
What is the InChIKey of 4-(bromomethyl)-4-methylnonane?
The InChIKey is DFKFPLMRGXHHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-4-6-7-9-11(3,10-12)8-5-2/h4-10H2,1-3H3.
What are the key properties of 4-(bromomethyl)-4-methylnonane?
4-(bromomethyl)-4-methylnonane has a molecular weight of 235.21 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-methylnonane is sourced from PubChem (CID 66048915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).