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

C15H22CrO6 — CID 11752190

IUPAC[[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
InChIInChI=1S/C15H22O6.Cr/c1-16-10-11-13(12-8-6-7-9-21-12)15(19-4,20-5)14(11,17-2)18-3;/h8H,6-7,9H2,1-5H3;
InChIKeyFFWOGFFCDGAFNV-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.29
Rot. Bonds7

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

[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium (PubChem CID 11752190) has the molecular formula C15H22CrO6 and a molecular weight of 350.33 g/mol. Its IUPAC name is [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium.

Molecular Properties

Compound Name[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium
PubChem CID11752190
Molecular FormulaC15H22CrO6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name[[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
InChIInChI=1S/C15H22O6.Cr/c1-16-10-11-13(12-8-6-7-9-21-12)15(19-4,20-5)14(11,17-2)18-3;/h8H,6-7,9H2,1-5H3;
InChIKeyFFWOGFFCDGAFNV-UHFFFAOYSA-N
XLogP1.29
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
The IUPAC name of [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium (CID 11752190) is [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium.
What is the SMILES notation for [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
The canonical SMILES for [[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.
What is the InChIKey of [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
The InChIKey is FFWOGFFCDGAFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6.Cr/c1-16-10-11-13(12-8-6-7-9-21-12)15(19-4,20-5)14(11,17-2)18-3;/h8H,6-7,9H2,1-5H3;.
What are the key properties of [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium?
[[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium has a molecular weight of 350.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(3,4-dihydro-2H-pyran-6-yl)-3,3,4,4-tetramethoxycyclobuten-1-yl]-methoxymethylidene]chromium is sourced from PubChem (CID 11752190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).