sodium;1-iodo-2-methoxyethane;iodide

C3H7I2NaO — CID 172682505

IUPACsodium;1-iodo-2-methoxyethane;iodide
SMILESCOCCI.[I-].[Na+]
InChIInChI=1S/C3H7IO.HI.Na/c1-5-3-2-4;;/h2-3H2,1H3;1H;/q;;+1/p-1
InChIKeyAPCAUIUJVPRYSW-UHFFFAOYSA-M
MW335.89 g/mol
LogP-4.92
Rot. Bonds2

About sodium;1-iodo-2-methoxyethane;iodide

sodium;1-iodo-2-methoxyethane;iodide (PubChem CID 172682505) has the molecular formula C3H7I2NaO and a molecular weight of 335.89 g/mol. Its IUPAC name is sodium;1-iodo-2-methoxyethane;iodide.

Molecular Properties

Compound Namesodium;1-iodo-2-methoxyethane;iodide
PubChem CID172682505
Molecular FormulaC3H7I2NaO
Molecular Weight335.89 g/mol
Exact Mass335.85
IUPAC Namesodium;1-iodo-2-methoxyethane;iodide
SMILESCOCCI.[I-].[Na+]
InChIInChI=1S/C3H7IO.HI.Na/c1-5-3-2-4;;/h2-3H2,1H3;1H;/q;;+1/p-1
InChIKeyAPCAUIUJVPRYSW-UHFFFAOYSA-M
XLogP-4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 5-4.92
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

1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
CID 172826348
CID 172826348
zinc;1,2-dimethoxyethane;iodomethane
CID 11144627
sodium;hydride;1-methoxypropane
CID 174682746
sodium 2-methoxyethanol
CID 21124383
barium(2+);1,2-dimethoxyethane;dibromide
CID 173394585
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640

Frequently Asked Questions

What is the IUPAC name of sodium;1-iodo-2-methoxyethane;iodide?
The IUPAC name of sodium;1-iodo-2-methoxyethane;iodide (CID 172682505) is sodium;1-iodo-2-methoxyethane;iodide.
What is the SMILES notation for sodium;1-iodo-2-methoxyethane;iodide?
The canonical SMILES for sodium;1-iodo-2-methoxyethane;iodide is COCCI.[I-].[Na+].
What is the InChIKey of sodium;1-iodo-2-methoxyethane;iodide?
The InChIKey is APCAUIUJVPRYSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7IO.HI.Na/c1-5-3-2-4;;/h2-3H2,1H3;1H;/q;;+1/p-1.
What are the key properties of sodium;1-iodo-2-methoxyethane;iodide?
sodium;1-iodo-2-methoxyethane;iodide has a molecular weight of 335.89 g/mol, XLogP of -4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-iodo-2-methoxyethane;iodide is sourced from PubChem (CID 172682505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).