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

C20H20CrO7 — CID 135002848

IUPACcarbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCCC2)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H20O2.5CO.Cr/c1-16-10-13-14(11-6-3-2-4-7-11)12-8-5-9-17-15(12)13;5*1-2;/h6,12,15H,2-5,7-9H2,1H3;;;;;;
InChIKeyRIJCGGBABVJLRR-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.73
Rot. Bonds3

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

carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium (PubChem CID 135002848) has the molecular formula C20H20CrO7 and a molecular weight of 424.37 g/mol. Its IUPAC name is carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
PubChem CID135002848
Molecular FormulaC20H20CrO7
Molecular Weight424.37 g/mol
Exact Mass424.06
IUPAC Namecarbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCCC2)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H20O2.5CO.Cr/c1-16-10-13-14(11-6-3-2-4-7-11)12-8-5-9-17-15(12)13;5*1-2;/h6,12,15H,2-5,7-9H2,1H3;;;;;;
InChIKeyRIJCGGBABVJLRR-UHFFFAOYSA-N
XLogP2.73
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Launch Full Analysis

Related Compounds

5-ethyl-2-[4-[(E,5S)-7-[(1S)-3-ethyl-4,5-difluorocyclooct-3-en-1-yl]oxy-1,5,7,7-tetrafluorohept-3-en-3-yl]cyclohexa-1,3-dien-1-yl]oxane
CID 163780146
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;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten
CID 135002834
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
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
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-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium (CID 135002848) is carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCCC2)C2CCCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium?
The InChIKey is RIJCGGBABVJLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.5CO.Cr/c1-16-10-13-14(11-6-3-2-4-7-11)12-8-5-9-17-15(12)13;5*1-2;/h6,12,15H,2-5,7-9H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium?
carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium has a molecular weight of 424.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 135002848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).