carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium

C19H18CrO8 — CID 134884872

IUPACcarbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)C2OC(C)(C)OC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H18O3.5CO.Cr/c1-14(2)16-12-10(8-15-3)11(13(12)17-14)9-6-4-5-7-9;5*1-2;/h6,12-13H,4-5,7H2,1-3H3;;;;;;
InChIKeyXWOZVPSZVLBFFW-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.06
Rot. Bonds3

About carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium

carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium (PubChem CID 134884872) has the molecular formula C19H18CrO8 and a molecular weight of 426.34 g/mol. Its IUPAC name is carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
PubChem CID134884872
Molecular FormulaC19H18CrO8
Molecular Weight426.34 g/mol
Exact Mass426.04
IUPAC Namecarbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCC2)C2OC(C)(C)OC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C14H18O3.5CO.Cr/c1-14(2)16-12-10(8-15-3)11(13(12)17-14)9-6-4-5-7-9;5*1-2;/h6,12-13H,4-5,7H2,1-3H3;;;;;;
InChIKeyXWOZVPSZVLBFFW-UHFFFAOYSA-N
XLogP2.06
TPSA127.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S)-2-[(4R,5R)-2,2-dimethyl-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1,3-dioxolan-4-yl]-4-methyl-3,6-dihydro-2H-pyran
CID 11162206
[[7-(Cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium
CID 12039721
[(2S)-1-[(4S,5S)-2,2-dimethyl-5-[(1E)-2-methyl-3-prop-2-enoxycarbonyloxybuta-1,3-dienyl]-1,3-dioxolan-4-yl]-3-methylbut-3-en-2-yl] methyl carbonate
CID 71661424
[(2R)-1-[(4S,5S)-2,2-dimethyl-5-[(1E)-2-methyl-3-prop-2-enoxycarbonyloxybuta-1,3-dienyl]-1,3-dioxolan-4-yl]-3-methylbut-3-en-2-yl] methyl carbonate
CID 71661428
6-(Cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
CID 101202650
1-[3,3,4,4-Tetramethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclohexene
CID 102462219

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium (CID 134884872) is carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCC2)C2OC(C)(C)OC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
The InChIKey is XWOZVPSZVLBFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.5CO.Cr/c1-14(2)16-12-10(8-15-3)11(13(12)17-14)9-6-4-5-7-9;5*1-2;/h6,12-13H,4-5,7H2,1-3H3;;;;;;.
What are the key properties of carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium?
carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium has a molecular weight of 426.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[7-(cyclopenten-1-yl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-en-6-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 134884872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).