5-methyl-2-methyliodanuidyloxane

C7H14IO- — CID 148963001

IUPAC5-methyl-2-methyliodanuidyloxane
SMILESC[I-]C1CCC(C)CO1
InChIInChI=1S/C7H14IO/c1-6-3-4-7(8-2)9-5-6/h6-7H,3-5H2,1-2H3/q-1
InChIKeyCCGKZTWEACAHRT-UHFFFAOYSA-N
MW241.09 g/mol
LogP-1.52
Rot. Bonds1

About 5-methyl-2-methyliodanuidyloxane

5-methyl-2-methyliodanuidyloxane (PubChem CID 148963001) has the molecular formula C7H14IO- and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-methyl-2-methyliodanuidyloxane.

Molecular Properties

Compound Name5-methyl-2-methyliodanuidyloxane
PubChem CID148963001
Molecular FormulaC7H14IO-
Molecular Weight241.09 g/mol
Exact Mass241.01
IUPAC Name5-methyl-2-methyliodanuidyloxane
SMILESC[I-]C1CCC(C)CO1
InChIInChI=1S/C7H14IO/c1-6-3-4-7(8-2)9-5-6/h6-7H,3-5H2,1-2H3/q-1
InChIKeyCCGKZTWEACAHRT-UHFFFAOYSA-N
XLogP-1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 5-1.52
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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Related Compounds

(5R)-5-methyloxan-2-ol
CID 159421753
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
(2R)-2-ethyl-5-methyloxane
CID 146845250
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158485618
(5R)-5-methyl-2-(trifluoromethyl)oxane
CID 155244319
5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
CID 167037210
(3S)-3-methyloxolane
CID 7857636
tris(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane;methane
CID 158777415
tris(1,4-dimethylcyclohexane);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);methane
CID 162214412
(2S,5S)-5-methyl-2-(2-methylprop-1-enyl)oxane
CID 44606708
N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine
CID 155367091

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methyliodanuidyloxane?
The IUPAC name of 5-methyl-2-methyliodanuidyloxane (CID 148963001) is 5-methyl-2-methyliodanuidyloxane.
What is the SMILES notation for 5-methyl-2-methyliodanuidyloxane?
The canonical SMILES for 5-methyl-2-methyliodanuidyloxane is C[I-]C1CCC(C)CO1.
What is the InChIKey of 5-methyl-2-methyliodanuidyloxane?
The InChIKey is CCGKZTWEACAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IO/c1-6-3-4-7(8-2)9-5-6/h6-7H,3-5H2,1-2H3/q-1.
What are the key properties of 5-methyl-2-methyliodanuidyloxane?
5-methyl-2-methyliodanuidyloxane has a molecular weight of 241.09 g/mol, XLogP of -1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methyliodanuidyloxane is sourced from PubChem (CID 148963001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).