[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten

C13H16O3W — CID 134884947

IUPAC[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])C1=C(C2=CCCC2)C2COCOC12
InChIInChI=1S/C13H16O3.W/c1-14-6-10-12(9-4-2-3-5-9)11-7-15-8-16-13(10)11;/h4,11,13H,2-3,5,7-8H2,1H3;
InChIKeyNVYWGEDXNQXWOS-UHFFFAOYSA-N
MW404.11 g/mol
LogP1.72
Rot. Bonds3

About [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten

[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten (PubChem CID 134884947) has the molecular formula C13H16O3W and a molecular weight of 404.11 g/mol. Its IUPAC name is [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten.

Molecular Properties

Compound Name[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
PubChem CID134884947
Molecular FormulaC13H16O3W
Molecular Weight404.11 g/mol
Exact Mass404.06
IUPAC Name[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
SMILESCOC(=[W])C1=C(C2=CCCC2)C2COCOC12
InChIInChI=1S/C13H16O3.W/c1-14-6-10-12(9-4-2-3-5-9)11-7-15-8-16-13(10)11;/h4,11,13H,2-3,5,7-8H2,1H3;
InChIKeyNVYWGEDXNQXWOS-UHFFFAOYSA-N
XLogP1.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.11
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten with MolForge

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Related Compounds

Carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 134884946
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
2-[(2S)-4-(methoxymethoxy)-2-methylbutyl]-4-methyl-3,6-dihydro-2H-pyran
CID 25257640
7-(Cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene
CID 101051433
[[7-(Cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884839
[[7-(Cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004761

Frequently Asked Questions

What is the IUPAC name of [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The IUPAC name of [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten (CID 134884947) is [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten.
What is the SMILES notation for [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The canonical SMILES for [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten is COC(=[W])C1=C(C2=CCCC2)C2COCOC12.
What is the InChIKey of [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The InChIKey is NVYWGEDXNQXWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.W/c1-14-6-10-12(9-4-2-3-5-9)11-7-15-8-16-13(10)11;/h4,11,13H,2-3,5,7-8H2,1H3;.
What are the key properties of [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten has a molecular weight of 404.11 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten is sourced from PubChem (CID 134884947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).