carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

C18H17CrO9P — CID 134886345

IUPACcarbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H17O4P.5CO.Cr/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)18(11)5;5*1-2;/h10-11H,1-5H3;;;;;;
InChIKeyUMHHFKIADPMMSN-UHFFFAOYSA-N
MW460.30 g/mol
LogP1.65
Rot. Bonds2

About carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (PubChem CID 134886345) has the molecular formula C18H17CrO9P and a molecular weight of 460.30 g/mol. Its IUPAC name is carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.

Molecular Properties

Compound Namecarbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
PubChem CID134886345
Molecular FormulaC18H17CrO9P
Molecular Weight460.30 g/mol
Exact Mass460.00
IUPAC Namecarbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H17O4P.5CO.Cr/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)18(11)5;5*1-2;/h10-11H,1-5H3;;;;;;
InChIKeyUMHHFKIADPMMSN-UHFFFAOYSA-N
XLogP1.65
TPSA152.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The IUPAC name of carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (CID 134886345) is carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
What is the SMILES notation for carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The canonical SMILES for carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The InChIKey is UMHHFKIADPMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O4P.5CO.Cr/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)18(11)5;5*1-2;/h10-11H,1-5H3;;;;;;.
What are the key properties of carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate has a molecular weight of 460.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;dimethyl 5,6,7-trimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is sourced from PubChem (CID 134886345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).