carbanide;iridium(3+);pentane

C6H14Ir+ — CID 23526392

IUPACcarbanide;iridium(3+);pentane
SMILES[CH2-]CCCC.[CH3-].[Ir+3]
InChIInChI=1S/C5H11.CH3.Ir/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+3
InChIKeyBUSCIHOEZLMWOX-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.46
Rot. Bonds2

About carbanide;iridium(3+);pentane

carbanide;iridium(3+);pentane (PubChem CID 23526392) has the molecular formula C6H14Ir+ and a molecular weight of 278.39 g/mol. Its IUPAC name is carbanide;iridium(3+);pentane.

Molecular Properties

Compound Namecarbanide;iridium(3+);pentane
PubChem CID23526392
Molecular FormulaC6H14Ir+
Molecular Weight278.39 g/mol
Exact Mass279.07
IUPAC Namecarbanide;iridium(3+);pentane
SMILES[CH2-]CCCC.[CH3-].[Ir+3]
InChIInChI=1S/C5H11.CH3.Ir/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+3
InChIKeyBUSCIHOEZLMWOX-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 59938610
carbanide;gadolinium(2+);pentane
CID 174464461
magnesium;carbanide;pentane;hydrobromide
CID 118089273
potassium pentane
CID 23495497
carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
CID 88509419
palladium(2+);pentane;chloride
CID 88629932
iodotitanium(3+);tris(pentane)
CID 18688406
magnesium;hexane;pentane
CID 19799394
dilithium;carbanide;hexane
CID 174334686
dichlorotitanium;bis(pentane)
CID 18688492
heptadecane
CID 156905849
magnesium;methanidyl(trimethyl)silane;pentane
CID 19977373

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium(3+);pentane?
The IUPAC name of carbanide;iridium(3+);pentane (CID 23526392) is carbanide;iridium(3+);pentane.
What is the SMILES notation for carbanide;iridium(3+);pentane?
The canonical SMILES for carbanide;iridium(3+);pentane is [CH2-]CCCC.[CH3-].[Ir+3].
What is the InChIKey of carbanide;iridium(3+);pentane?
The InChIKey is BUSCIHOEZLMWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.CH3.Ir/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+3.
What are the key properties of carbanide;iridium(3+);pentane?
carbanide;iridium(3+);pentane has a molecular weight of 278.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium(3+);pentane is sourced from PubChem (CID 23526392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).