carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium

C18H18CrO7 — CID 134884591

IUPACcarbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)CC1(C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H18O2.5CO.Cr/c1-13(15-3)8-11(12(13)9-14-2)10-6-4-5-7-10;5*1-2;/h6H,4-5,7-8H2,1-3H3;;;;;;
InChIKeyYNIPDGVESXPEDO-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.34
Rot. Bonds4

About carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium

carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium (PubChem CID 134884591) has the molecular formula C18H18CrO7 and a molecular weight of 398.33 g/mol. Its IUPAC name is carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
PubChem CID134884591
Molecular FormulaC18H18CrO7
Molecular Weight398.33 g/mol
Exact Mass398.05
IUPAC Namecarbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)CC1(C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H18O2.5CO.Cr/c1-13(15-3)8-11(12(13)9-14-2)10-6-4-5-7-10;5*1-2;/h6H,4-5,7-8H2,1-3H3;;;;;;
InChIKeyYNIPDGVESXPEDO-UHFFFAOYSA-N
XLogP2.34
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
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;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[7-(cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
CID 134884945
Carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 135003047
5-But-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene
CID 118319086
3-Ethyl-2-(1-methoxy-2-methylcyclopenta-2,4-dien-1-yl)hept-1-en-1-one
CID 152216671
[[7-(Cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
CID 12039719
1-Ethenyl-5-(hex-5-EN-1-YL)-5-methoxy-3,3-dimethylcyclopent-1-ene
CID 16092612
1-[3-Methoxy-2-(methoxymethyl)-3-methylcyclobuten-1-yl]cyclohexene
CID 102462218
[[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;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium (CID 134884591) is carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCC2)CC1(C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium?
The InChIKey is YNIPDGVESXPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.5CO.Cr/c1-13(15-3)8-11(12(13)9-14-2)10-6-4-5-7-10;5*1-2;/h6H,4-5,7-8H2,1-3H3;;;;;;.
What are the key properties of carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium?
carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium has a molecular weight of 398.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[2-(cyclopenten-1-yl)-4-methoxy-4-methylcyclobuten-1-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 134884591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).