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

C18H17MoO10P — CID 134886319

IUPACcarbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C13H17O5P.5CO.Mo/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)19(11)18-5;5*1-2;/h10-11H,1-5H3;;;;;;
InChIKeyKGGAUSAJMHMJOB-UHFFFAOYSA-N
MW520.24 g/mol
LogP1.58
Rot. Bonds3

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

carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum (PubChem CID 134886319) has the molecular formula C18H17MoO10P and a molecular weight of 520.24 g/mol. Its IUPAC name is carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum.

Molecular Properties

Compound Namecarbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum
PubChem CID134886319
Molecular FormulaC18H17MoO10P
Molecular Weight520.24 g/mol
Exact Mass521.96
IUPAC Namecarbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C13H17O5P.5CO.Mo/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)19(11)18-5;5*1-2;/h10-11H,1-5H3;;;;;;
InChIKeyKGGAUSAJMHMJOB-UHFFFAOYSA-N
XLogP1.58
TPSA161.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum?
The IUPAC name of carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum (CID 134886319) is carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum.
What is the SMILES notation for carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum?
The canonical SMILES for carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum is COC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].
What is the InChIKey of carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum?
The InChIKey is KGGAUSAJMHMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O5P.5CO.Mo/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)19(11)18-5;5*1-2;/h10-11H,1-5H3;;;;;;.
What are the key properties of carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum?
carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum has a molecular weight of 520.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;molybdenum is sourced from PubChem (CID 134886319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).