iodomethane;2-methoxy-2-methylpropane

C6H15IO — CID 158686388

IUPACiodomethane;2-methoxy-2-methylpropane
SMILESCI.COC(C)(C)C
InChIInChI=1S/C5H12O.CH3I/c1-5(2,3)6-4;1-2/h1-4H3;1H3
InChIKeyIFUHJGQEJRGTDW-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.48
Rot. Bonds

About iodomethane;2-methoxy-2-methylpropane

iodomethane;2-methoxy-2-methylpropane (PubChem CID 158686388) has the molecular formula C6H15IO and a molecular weight of 230.09 g/mol. Its IUPAC name is iodomethane;2-methoxy-2-methylpropane.

Molecular Properties

Compound Nameiodomethane;2-methoxy-2-methylpropane
PubChem CID158686388
Molecular FormulaC6H15IO
Molecular Weight230.09 g/mol
Exact Mass230.02
IUPAC Nameiodomethane;2-methoxy-2-methylpropane
SMILESCI.COC(C)(C)C
InChIInChI=1S/C5H12O.CH3I/c1-5(2,3)6-4;1-2/h1-4H3;1H3
InChIKeyIFUHJGQEJRGTDW-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodomethane;2-methoxy-2-methylpropane?
The IUPAC name of iodomethane;2-methoxy-2-methylpropane (CID 158686388) is iodomethane;2-methoxy-2-methylpropane.
What is the SMILES notation for iodomethane;2-methoxy-2-methylpropane?
The canonical SMILES for iodomethane;2-methoxy-2-methylpropane is CI.COC(C)(C)C.
What is the InChIKey of iodomethane;2-methoxy-2-methylpropane?
The InChIKey is IFUHJGQEJRGTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.CH3I/c1-5(2,3)6-4;1-2/h1-4H3;1H3.
What are the key properties of iodomethane;2-methoxy-2-methylpropane?
iodomethane;2-methoxy-2-methylpropane has a molecular weight of 230.09 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;2-methoxy-2-methylpropane is sourced from PubChem (CID 158686388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).