buta-1,3-diene;iridium(2+) monohydride;phosphane

C4H10IrP2 — CID 139244976

IUPACbuta-1,3-diene;iridium(2+) monohydride;phosphane
SMILESP.P.[H]/[C-]=C/C=[C-]/[H].[Ir+2]
InChIInChI=1S/C4H4.Ir.2H3P/c1-3-4-2;;;/h1-4H;;2*1H3/q-2;+2;;
InChIKeyANAJDUCBAKRXRL-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.08
Rot. Bonds1

About buta-1,3-diene;iridium(2+) monohydride;phosphane

buta-1,3-diene;iridium(2+) monohydride;phosphane (PubChem CID 139244976) has the molecular formula C4H10IrP2 and a molecular weight of 312.29 g/mol. Its IUPAC name is buta-1,3-diene;iridium(2+) monohydride;phosphane.

Molecular Properties

Compound Namebuta-1,3-diene;iridium(2+) monohydride;phosphane
PubChem CID139244976
Molecular FormulaC4H10IrP2
Molecular Weight312.29 g/mol
Exact Mass312.99
IUPAC Namebuta-1,3-diene;iridium(2+) monohydride;phosphane
SMILESP.P.[H]/[C-]=C/C=[C-]/[H].[Ir+2]
InChIInChI=1S/C4H4.Ir.2H3P/c1-3-4-2;;;/h1-4H;;2*1H3/q-2;+2;;
InChIKeyANAJDUCBAKRXRL-UHFFFAOYSA-N
XLogP1.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;iridium(2+) monohydride;phosphane?
The IUPAC name of buta-1,3-diene;iridium(2+) monohydride;phosphane (CID 139244976) is buta-1,3-diene;iridium(2+) monohydride;phosphane.
What is the SMILES notation for buta-1,3-diene;iridium(2+) monohydride;phosphane?
The canonical SMILES for buta-1,3-diene;iridium(2+) monohydride;phosphane is P.P.[H]/[C-]=C/C=[C-]/[H].[Ir+2].
What is the InChIKey of buta-1,3-diene;iridium(2+) monohydride;phosphane?
The InChIKey is ANAJDUCBAKRXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4.Ir.2H3P/c1-3-4-2;;;/h1-4H;;2*1H3/q-2;+2;;.
What are the key properties of buta-1,3-diene;iridium(2+) monohydride;phosphane?
buta-1,3-diene;iridium(2+) monohydride;phosphane has a molecular weight of 312.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;iridium(2+) monohydride;phosphane is sourced from PubChem (CID 139244976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).