methane;propan-2-one;triiodovanadium

C5H14I3OV — CID 159919385

IUPACmethane;propan-2-one;triiodovanadium
SMILESC.C.CC(C)=O.I[V](I)I
InChIInChI=1S/C3H6O.2CH4.3HI.V/c1-3(2)4;;;;;;/h1-2H3;2*1H4;3*1H;/q;;;;;;+3/p-3
InChIKeyNYEWIPFWGISSIR-UHFFFAOYSA-K
MW521.82 g/mol
LogP4.52
Rot. Bonds

About methane;propan-2-one;triiodovanadium

methane;propan-2-one;triiodovanadium (PubChem CID 159919385) has the molecular formula C5H14I3OV and a molecular weight of 521.82 g/mol. Its IUPAC name is methane;propan-2-one;triiodovanadium.

Molecular Properties

Compound Namemethane;propan-2-one;triiodovanadium
PubChem CID159919385
Molecular FormulaC5H14I3OV
Molecular Weight521.82 g/mol
Exact Mass521.76
IUPAC Namemethane;propan-2-one;triiodovanadium
SMILESC.C.CC(C)=O.I[V](I)I
InChIInChI=1S/C3H6O.2CH4.3HI.V/c1-3(2)4;;;;;;/h1-2H3;2*1H4;3*1H;/q;;;;;;+3/p-3
InChIKeyNYEWIPFWGISSIR-UHFFFAOYSA-K
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetyl chloride;methane
CID 161264261
argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539
silver bis(propan-2-one)
CID 71340648
2-methylpropanoic acid;triiodovanadium
CID 158772262
chromium(6+);tris(oxygen(2-));propan-2-one
CID 173410195
propan-2-one;sulfur monoxide
CID 21387950
methanol;propan-2-one;dihydrate
CID 158013024
acetylene;propan-2-one
CID 175379090
methanol;propan-2-one;hydrate
CID 86590524

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-one;triiodovanadium?
The IUPAC name of methane;propan-2-one;triiodovanadium (CID 159919385) is methane;propan-2-one;triiodovanadium.
What is the SMILES notation for methane;propan-2-one;triiodovanadium?
The canonical SMILES for methane;propan-2-one;triiodovanadium is C.C.CC(C)=O.I[V](I)I.
What is the InChIKey of methane;propan-2-one;triiodovanadium?
The InChIKey is NYEWIPFWGISSIR-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H6O.2CH4.3HI.V/c1-3(2)4;;;;;;/h1-2H3;2*1H4;3*1H;/q;;;;;;+3/p-3.
What are the key properties of methane;propan-2-one;triiodovanadium?
methane;propan-2-one;triiodovanadium has a molecular weight of 521.82 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-one;triiodovanadium is sourced from PubChem (CID 159919385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).