carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane

C24H22O3PRh- — CID 5486408

IUPACcarbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane
SMILESCC(=O)/C=C(/C)[O-].[C-]#[O+].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H8O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3,6H,1-2H3;;/p-1/b;4-3-;;
InChIKeyRHKGZYVYKXVQSD-MECAPONASA-M
MW492.32 g/mol
LogP3.24
Rot. Bonds4

About carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane

carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane (PubChem CID 5486408) has the molecular formula C24H22O3PRh- and a molecular weight of 492.32 g/mol. Its IUPAC name is carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane
PubChem CID5486408
Molecular FormulaC24H22O3PRh-
Molecular Weight492.32 g/mol
Exact Mass492.04
IUPAC Namecarbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane
SMILESCC(=O)/C=C(/C)[O-].[C-]#[O+].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H8O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3,6H,1-2H3;;/p-1/b;4-3-;;
InChIKeyRHKGZYVYKXVQSD-MECAPONASA-M
XLogP3.24
TPSA60.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane?
The IUPAC name of carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane (CID 5486408) is carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane.
What is the SMILES notation for carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane?
The canonical SMILES for carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane is CC(=O)/C=C(/C)[O-].[C-]#[O+].[Rh].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane?
The InChIKey is RHKGZYVYKXVQSD-MECAPONASA-M. The full InChI is InChI=1S/C18H15P.C5H8O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3,6H,1-2H3;;/p-1/b;4-3-;;.
What are the key properties of carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane?
carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane has a molecular weight of 492.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(Z)-4-oxopent-2-en-2-olate;rhodium;triphenylphosphane is sourced from PubChem (CID 5486408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).