sodium;propan-1-ol;iodide

C3H8INaO — CID 174317067

IUPACsodium;propan-1-ol;iodide
SMILESCCCO.[I-].[Na+]
InChIInChI=1S/C3H8O.HI.Na/c1-2-3-4;;/h4H,2-3H2,1H3;1H;/q;;+1/p-1
InChIKeyVIIBMIHNZWAVQK-UHFFFAOYSA-M
MW209.99 g/mol
LogP-5.60
Rot. Bonds1

About sodium;propan-1-ol;iodide

sodium;propan-1-ol;iodide (PubChem CID 174317067) has the molecular formula C3H8INaO and a molecular weight of 209.99 g/mol. Its IUPAC name is sodium;propan-1-ol;iodide.

Molecular Properties

Compound Namesodium;propan-1-ol;iodide
PubChem CID174317067
Molecular FormulaC3H8INaO
Molecular Weight209.99 g/mol
Exact Mass209.95
IUPAC Namesodium;propan-1-ol;iodide
SMILESCCCO.[I-].[Na+]
InChIInChI=1S/C3H8O.HI.Na/c1-2-3-4;;/h4H,2-3H2,1H3;1H;/q;;+1/p-1
InChIKeyVIIBMIHNZWAVQK-UHFFFAOYSA-M
XLogP-5.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.99
LogP ≤ 5-5.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propan-1-ol;sulfanide
CID 19710776
propan-1-ol;hydroiodide
CID 126649388
phosphane;tris(propan-1-ol)
CID 172777513
bis(propan-1-ol);yttrium
CID 20652670
CID 6391766
CID 6391766
niobium;hexakis(propan-1-ol)
CID 142301963
nickel;propan-1-ol
CID 22476953
methanol;propan-1-ol;zinc
CID 150799125
tris(propan-1-ol);zirconium;chloride
CID 18944786
methane;bis(propan-1-ol);tungsten
CID 161195602
tris(propan-1-ol);vanadium(2+);dichloride
CID 88503682
cobalt;propan-1-ol;hydrochloride
CID 87992345

Frequently Asked Questions

What is the IUPAC name of sodium;propan-1-ol;iodide?
The IUPAC name of sodium;propan-1-ol;iodide (CID 174317067) is sodium;propan-1-ol;iodide.
What is the SMILES notation for sodium;propan-1-ol;iodide?
The canonical SMILES for sodium;propan-1-ol;iodide is CCCO.[I-].[Na+].
What is the InChIKey of sodium;propan-1-ol;iodide?
The InChIKey is VIIBMIHNZWAVQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O.HI.Na/c1-2-3-4;;/h4H,2-3H2,1H3;1H;/q;;+1/p-1.
What are the key properties of sodium;propan-1-ol;iodide?
sodium;propan-1-ol;iodide has a molecular weight of 209.99 g/mol, XLogP of -5.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propan-1-ol;iodide is sourced from PubChem (CID 174317067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).