carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten

C18H16O7W — CID 135002834

IUPACcarbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])C1=C(C2=CCCC2)C2CCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H16O2.5CO.W/c1-14-8-11-12(9-4-2-3-5-9)10-6-7-15-13(10)11;5*1-2;/h4,10,13H,2-3,5-7H2,1H3;;;;;;
InChIKeySUJCIGSXSZBTAS-UHFFFAOYSA-N
MW528.16 g/mol
LogP1.95
Rot. Bonds3

About carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten

carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten (PubChem CID 135002834) has the molecular formula C18H16O7W and a molecular weight of 528.16 g/mol. Its IUPAC name is carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten
PubChem CID135002834
Molecular FormulaC18H16O7W
Molecular Weight528.16 g/mol
Exact Mass528.04
IUPAC Namecarbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])C1=C(C2=CCCC2)C2CCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H16O2.5CO.W/c1-14-8-11-12(9-4-2-3-5-9)10-6-7-15-13(10)11;5*1-2;/h4,10,13H,2-3,5-7H2,1H3;;;;;;
InChIKeySUJCIGSXSZBTAS-UHFFFAOYSA-N
XLogP1.95
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.16
LogP ≤ 51.95
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;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
Carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 135003047
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
5-Decyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 22020029
4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan
CID 143368889
[[6-(Cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 11058365
6-(Cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
CID 101051432
7-(Cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene
CID 101051433
6-(Cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
CID 101051434
[[7-(Cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884839

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten?
The IUPAC name of carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten (CID 135002834) is carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten.
What is the SMILES notation for carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten?
The canonical SMILES for carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten is COC(=[W])C1=C(C2=CCCC2)C2CCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten?
The InChIKey is SUJCIGSXSZBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.5CO.W/c1-14-8-11-12(9-4-2-3-5-9)10-6-7-15-13(10)11;5*1-2;/h4,10,13H,2-3,5-7H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten?
carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten has a molecular weight of 528.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten is sourced from PubChem (CID 135002834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).