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

C18H17CrO10P — CID 134886172

IUPACcarbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H17O5P.5CO.Cr/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;;;;;;
InChIKeyQKMRVUSZCLMXBW-UHFFFAOYSA-N
MW476.29 g/mol
LogP1.58
Rot. Bonds3

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

carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (PubChem CID 134886172) has the molecular formula C18H17CrO10P and a molecular weight of 476.29 g/mol. Its IUPAC name is carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.

Molecular Properties

Compound Namecarbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
PubChem CID134886172
Molecular FormulaC18H17CrO10P
Molecular Weight476.29 g/mol
Exact Mass476.00
IUPAC Namecarbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H17O5P.5CO.Cr/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;;;;;;
InChIKeyQKMRVUSZCLMXBW-UHFFFAOYSA-N
XLogP1.58
TPSA161.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.29
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;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The IUPAC name of carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (CID 134886172) is carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
What is the SMILES notation for carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The canonical SMILES for carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1P2OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The InChIKey is QKMRVUSZCLMXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O5P.5CO.Cr/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;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
carbon monoxide;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate has a molecular weight of 476.29 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;chromium;dimethyl 7-methoxy-5,6-dimethyl-7-phosphabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is sourced from PubChem (CID 134886172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).