oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide

C8H12IMoO- — CID 149159633

IUPACoxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide
SMILESI.O=[Mo].[CH2-]CCC1C=CC=C1
InChIInChI=1S/C8H11.HI.Mo.O/c1-2-5-8-6-3-4-7-8;;;/h3-4,6-8H,1-2,5H2;1H;;/q-1;;;
InChIKeyPNZSNADCUHHBNU-UHFFFAOYSA-N
MW347.03 g/mol
LogP2.84
Rot. Bonds2

About oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide

oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide (PubChem CID 149159633) has the molecular formula C8H12IMoO- and a molecular weight of 347.03 g/mol. Its IUPAC name is oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide.

Molecular Properties

Compound Nameoxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide
PubChem CID149159633
Molecular FormulaC8H12IMoO-
Molecular Weight347.03 g/mol
Exact Mass348.90
IUPAC Nameoxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide
SMILESI.O=[Mo].[CH2-]CCC1C=CC=C1
InChIInChI=1S/C8H11.HI.Mo.O/c1-2-5-8-6-3-4-7-8;;;/h3-4,6-8H,1-2,5H2;1H;;/q-1;;;
InChIKeyPNZSNADCUHHBNU-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide?
The IUPAC name of oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide (CID 149159633) is oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide.
What is the SMILES notation for oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide?
The canonical SMILES for oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide is I.O=[Mo].[CH2-]CCC1C=CC=C1.
What is the InChIKey of oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide?
The InChIKey is PNZSNADCUHHBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.HI.Mo.O/c1-2-5-8-6-3-4-7-8;;;/h3-4,6-8H,1-2,5H2;1H;;/q-1;;;.
What are the key properties of oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide?
oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide has a molecular weight of 347.03 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxomolybdenum;5-propylcyclopenta-1,3-diene;hydroiodide is sourced from PubChem (CID 149159633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).