carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane

C31H32MnO2P- — CID 139264375

IUPACcarbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane
SMILESCC1CC(C)(C)OC1=[Mn].[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H12O.C5H5.CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-7(2,3)8-5-6;1-2-4-5-3-1;1-2;/h1-15H;6H,4H2,1-3H3;1-5H;;/q;;-1;;
InChIKeyFRUKJCALHZRSJF-UHFFFAOYSA-N
MW522.51 g/mol
LogP6.31
Rot. Bonds3

About carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane

carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane (PubChem CID 139264375) has the molecular formula C31H32MnO2P- and a molecular weight of 522.51 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane
PubChem CID139264375
Molecular FormulaC31H32MnO2P-
Molecular Weight522.51 g/mol
Exact Mass522.15
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane
SMILESCC1CC(C)(C)OC1=[Mn].[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H12O.C5H5.CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-7(2,3)8-5-6;1-2-4-5-3-1;1-2;/h1-15H;6H,4H2,1-3H3;1-5H;;/q;;-1;;
InChIKeyFRUKJCALHZRSJF-UHFFFAOYSA-N
XLogP6.31
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(Diphenylphosphanylmethyl)-3,4-dimethyloxolan-2-yl]methyl-diphenylphosphane
CID 88785194
[3-Methyl-3-(3-methylbutoxy)butyl]-triphenylphosphanium
CID 170390397

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane (CID 139264375) is carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane is CC1CC(C)(C)OC1=[Mn].[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane?
The InChIKey is FRUKJCALHZRSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C7H12O.C5H5.CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-7(2,3)8-5-6;1-2-4-5-3-1;1-2;/h1-15H;6H,4H2,1-3H3;1-5H;;/q;;-1;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane?
carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane has a molecular weight of 522.51 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;(3,5,5-trimethyloxolan-2-ylidene)manganese;triphenylphosphane is sourced from PubChem (CID 139264375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).