carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium

C20H20CrO7 — CID 134884945

IUPACcarbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)C2CCCC12OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H20O2.5CO.Cr/c1-16-10-13-14(11-6-3-4-7-11)12-8-5-9-15(12,13)17-2;5*1-2;/h6,12H,3-5,7-9H2,1-2H3;;;;;;
InChIKeyRCACOYRZLYJAQS-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.73
Rot. Bonds4

About carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium

carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium (PubChem CID 134884945) has the molecular formula C20H20CrO7 and a molecular weight of 424.37 g/mol. Its IUPAC name is carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
PubChem CID134884945
Molecular FormulaC20H20CrO7
Molecular Weight424.37 g/mol
Exact Mass424.06
IUPAC Namecarbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)C2CCCC12OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H20O2.5CO.Cr/c1-16-10-13-14(11-6-3-4-7-11)12-8-5-9-15(12,13)17-2;5*1-2;/h6,12H,3-5,7-9H2,1-2H3;;;;;;
InChIKeyRCACOYRZLYJAQS-UHFFFAOYSA-N
XLogP2.73
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 11058364
Carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
CID 134884591
[[7-(Cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
CID 12039719
[[2-(Cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
CID 134884592

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium (CID 134884945) is carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCC2)C2CCCC12OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium?
The InChIKey is RCACOYRZLYJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.5CO.Cr/c1-16-10-13-14(11-6-3-4-7-11)12-8-5-9-15(12,13)17-2;5*1-2;/h6,12H,3-5,7-9H2,1-2H3;;;;;;.
What are the key properties of carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium?
carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium has a molecular weight of 424.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium is sourced from PubChem (CID 134884945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).