carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten

C19H18O7W — CID 135004760

IUPACcarbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])C1=C(C2=CCCC2)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H18O2.5CO.W/c1-15-9-12-13(10-5-2-3-6-10)11-7-4-8-16-14(11)12;5*1-2;/h5,11,14H,2-4,6-8H2,1H3;;;;;;
InChIKeyDRKVCOWPUNHUIV-UHFFFAOYSA-N
MW542.19 g/mol
LogP2.34
Rot. Bonds3

About carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten

carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten (PubChem CID 135004760) has the molecular formula C19H18O7W and a molecular weight of 542.19 g/mol. Its IUPAC name is carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
PubChem CID135004760
Molecular FormulaC19H18O7W
Molecular Weight542.19 g/mol
Exact Mass542.06
IUPAC Namecarbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])C1=C(C2=CCCC2)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H18O2.5CO.W/c1-15-9-12-13(10-5-2-3-6-10)11-7-4-8-16-14(11)12;5*1-2;/h5,11,14H,2-4,6-8H2,1H3;;;;;;
InChIKeyDRKVCOWPUNHUIV-UHFFFAOYSA-N
XLogP2.34
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.19
LogP ≤ 52.34
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;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102473
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 134884946
Carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten
CID 135002834
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;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxane
CID 21647325
5-Ethoxy-1,6-dimethyl-4-(3-methylpentyl)cyclohexa-1,3-diene
CID 59229420
5-Ethoxy-1,6-dimethyl-4-(3-methylpentyl)cyclohexa-1,3-diene
CID 59229421
5-Hexoxy-1,6-dimethyl-4-propylcyclohexa-1,3-diene
CID 59271402

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten (CID 135004760) is carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten.
What is the SMILES notation for carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The canonical SMILES for carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten is COC(=[W])C1=C(C2=CCCC2)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The InChIKey is DRKVCOWPUNHUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2.5CO.W/c1-15-9-12-13(10-5-2-3-6-10)11-7-4-8-16-14(11)12;5*1-2;/h5,11,14H,2-4,6-8H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten has a molecular weight of 542.19 g/mol, XLogP of 2.34, 3 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)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten is sourced from PubChem (CID 135004760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).