3-(iodomethyl)-3-methylhexane

C8H17I — CID 121290697

IUPAC3-(iodomethyl)-3-methylhexane
SMILESCCCC(C)(CC)CI
InChIInChI=1S/C8H17I/c1-4-6-8(3,5-2)7-9/h4-7H2,1-3H3
InChIKeyXRUNDUXFLPHUDB-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.64
Rot. Bonds4

About 3-(iodomethyl)-3-methylhexane

3-(iodomethyl)-3-methylhexane (PubChem CID 121290697) has the molecular formula C8H17I and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-(iodomethyl)-3-methylhexane.

Molecular Properties

Compound Name3-(iodomethyl)-3-methylhexane
PubChem CID121290697
Molecular FormulaC8H17I
Molecular Weight240.13 g/mol
Exact Mass240.04
IUPAC Name3-(iodomethyl)-3-methylhexane
SMILESCCCC(C)(CC)CI
InChIInChI=1S/C8H17I/c1-4-6-8(3,5-2)7-9/h4-7H2,1-3H3
InChIKeyXRUNDUXFLPHUDB-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(iodomethyl)-3-methylhexane 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

1,3-diiodo-2-(iodomethyl)-2-methylpropane
CID 13088373
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
4-ethyl-4-methyloctane;propane
CID 176660925
ethane;4-ethyl-4-methylnonane
CID 164538733
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
N,3-diethyl-3-methylhexan-1-amine
CID 163633802
N-(3-ethyl-3-methylhexyl)methanimine
CID 174298399
ethane;3-ethyl-3-methylhexanenitrile
CID 145394451
ethane;3-ethyl-3-methylpentane
CID 158904304
4-ethyl-4-methyloctane;isocyanic acid
CID 87136372
4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane
CID 143328448
4-(2-chloroethyl)-4-methylheptane
CID 174403008

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-3-methylhexane?
The IUPAC name of 3-(iodomethyl)-3-methylhexane (CID 121290697) is 3-(iodomethyl)-3-methylhexane.
What is the SMILES notation for 3-(iodomethyl)-3-methylhexane?
The canonical SMILES for 3-(iodomethyl)-3-methylhexane is CCCC(C)(CC)CI.
What is the InChIKey of 3-(iodomethyl)-3-methylhexane?
The InChIKey is XRUNDUXFLPHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17I/c1-4-6-8(3,5-2)7-9/h4-7H2,1-3H3.
What are the key properties of 3-(iodomethyl)-3-methylhexane?
3-(iodomethyl)-3-methylhexane has a molecular weight of 240.13 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-3-methylhexane is sourced from PubChem (CID 121290697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).