dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane

C8H17IO2 — CID 163749083

IUPACdimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
SMILESC=I(C)(C)OC1CCCCO1
InChIInChI=1S/C8H17IO2/c1-9(2,3)11-8-6-4-5-7-10-8/h8H,1,4-7H2,2-3H3
InChIKeyLOLKYOHCSWACBH-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.18
Rot. Bonds2

About dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane

dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane (PubChem CID 163749083) has the molecular formula C8H17IO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane.

Molecular Properties

Compound Namedimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
PubChem CID163749083
Molecular FormulaC8H17IO2
Molecular Weight272.13 g/mol
Exact Mass272.03
IUPAC Namedimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
SMILESC=I(C)(C)OC1CCCCO1
InChIInChI=1S/C8H17IO2/c1-9(2,3)11-8-6-4-5-7-10-8/h8H,1,4-7H2,2-3H3
InChIKeyLOLKYOHCSWACBH-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyoxepane
CID 24974084
2-[(E)-prop-1-enoxy]oxane
CID 12835881
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
methane;N-(oxan-2-yloxy)methanimine
CID 159649356
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-cycloheptyloxyoxane
CID 11735764
methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
tris(oxan-2-yl) phosphate
CID 175007883

Frequently Asked Questions

What is the IUPAC name of dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane?
The IUPAC name of dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane (CID 163749083) is dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane.
What is the SMILES notation for dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane?
The canonical SMILES for dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane is C=I(C)(C)OC1CCCCO1.
What is the InChIKey of dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane?
The InChIKey is LOLKYOHCSWACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IO2/c1-9(2,3)11-8-6-4-5-7-10-8/h8H,1,4-7H2,2-3H3.
What are the key properties of dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane?
dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane has a molecular weight of 272.13 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane is sourced from PubChem (CID 163749083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).