carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium

C20H22CrO11 — CID 11752189

IUPACcarbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCCO2)C(OC)(OC)C1(OC)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H22O6.5CO.Cr/c1-16-10-11-13(12-8-6-7-9-21-12)15(19-4,20-5)14(11,17-2)18-3;5*1-2;/h8H,6-7,9H2,1-5H3;;;;;;
InChIKeyJFHRRTYTVVRXMN-UHFFFAOYSA-N
MW490.38 g/mol
LogP1.10
Rot. Bonds7

About carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium

carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium (PubChem CID 11752189) has the molecular formula C20H22CrO11 and a molecular weight of 490.38 g/mol. Its IUPAC name is carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium
PubChem CID11752189
Molecular FormulaC20H22CrO11
Molecular Weight490.38 g/mol
Exact Mass490.06
IUPAC Namecarbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium
SMILESCOC(=[Cr])C1=C(C2=CCCCO2)C(OC)(OC)C1(OC)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H22O6.5CO.Cr/c1-16-10-11-13(12-8-6-7-9-21-12)15(19-4,20-5)14(11,17-2)18-3;5*1-2;/h8H,6-7,9H2,1-5H3;;;;;;
InChIKeyJFHRRTYTVVRXMN-UHFFFAOYSA-N
XLogP1.10
TPSA154.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium (CID 11752189) is carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium is COC(=[Cr])C1=C(C2=CCCCO2)C(OC)(OC)C1(OC)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
The InChIKey is JFHRRTYTVVRXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6.5CO.Cr/c1-16-10-11-13(12-8-6-7-9-21-12)15(19-4,20-5)14(11,17-2)18-3;5*1-2;/h8H,6-7,9H2,1-5H3;;;;;;.
What are the key properties of carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium has a molecular weight of 490.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 11752189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).