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

C19H18CrO7 — CID 135003047

IUPACcarbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCCC2)C2CCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H18O2.5CO.Cr/c1-15-9-12-13(10-5-3-2-4-6-10)11-7-8-16-14(11)12;5*1-2;/h5,11,14H,2-4,6-8H2,1H3;;;;;;
InChIKeyMJFFRCMDYLBJSE-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.34
Rot. Bonds3

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

carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium (PubChem CID 135003047) has the molecular formula C19H18CrO7 and a molecular weight of 410.34 g/mol. Its IUPAC name is carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
PubChem CID135003047
Molecular FormulaC19H18CrO7
Molecular Weight410.34 g/mol
Exact Mass410.05
IUPAC Namecarbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCCC2)C2CCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H18O2.5CO.Cr/c1-15-9-12-13(10-5-3-2-4-6-10)11-7-8-16-14(11)12;5*1-2;/h5,11,14H,2-4,6-8H2,1H3;;;;;;
InChIKeyMJFFRCMDYLBJSE-UHFFFAOYSA-N
XLogP2.34
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
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;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
CID 134884591
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;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
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
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
2-[(2E,4E)-8-methoxy-3-methyl-6-propoxynona-2,4-dienyl]-3,5,6-trimethyloxane
CID 134550327

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium (CID 135003047) is carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCCC2)C2CCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium?
The InChIKey is MJFFRCMDYLBJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2.5CO.Cr/c1-15-9-12-13(10-5-3-2-4-6-10)11-7-8-16-14(11)12;5*1-2;/h5,11,14H,2-4,6-8H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium?
carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium has a molecular weight of 410.34 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;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 135003047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).