dioxotungsten;octane;1H-pyridin-2-one

C13H23NO3W — CID 175210750

IUPACdioxotungsten;octane;1H-pyridin-2-one
SMILESCCCCCCCC.O=[W]=O.O=c1cccc[nH]1
InChIInChI=1S/C8H18.C5H5NO.2O.W/c1-3-5-7-8-6-4-2;7-5-3-1-2-4-6-5;;;/h3-8H2,1-2H3;1-4H,(H,6,7);;;
InChIKeySGCMZXVWDGIKCB-UHFFFAOYSA-N
MW425.17 g/mol
LogP3.50
Rot. Bonds5

About dioxotungsten;octane;1H-pyridin-2-one

dioxotungsten;octane;1H-pyridin-2-one (PubChem CID 175210750) has the molecular formula C13H23NO3W and a molecular weight of 425.17 g/mol. Its IUPAC name is dioxotungsten;octane;1H-pyridin-2-one.

Molecular Properties

Compound Namedioxotungsten;octane;1H-pyridin-2-one
PubChem CID175210750
Molecular FormulaC13H23NO3W
Molecular Weight425.17 g/mol
Exact Mass425.12
IUPAC Namedioxotungsten;octane;1H-pyridin-2-one
SMILESCCCCCCCC.O=[W]=O.O=c1cccc[nH]1
InChIInChI=1S/C8H18.C5H5NO.2O.W/c1-3-5-7-8-6-4-2;7-5-3-1-2-4-6-5;;;/h3-8H2,1-2H3;1-4H,(H,6,7);;;
InChIKeySGCMZXVWDGIKCB-UHFFFAOYSA-N
XLogP3.50
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxotungsten;octane;1H-pyridin-2-one?
The IUPAC name of dioxotungsten;octane;1H-pyridin-2-one (CID 175210750) is dioxotungsten;octane;1H-pyridin-2-one.
What is the SMILES notation for dioxotungsten;octane;1H-pyridin-2-one?
The canonical SMILES for dioxotungsten;octane;1H-pyridin-2-one is CCCCCCCC.O=[W]=O.O=c1cccc[nH]1.
What is the InChIKey of dioxotungsten;octane;1H-pyridin-2-one?
The InChIKey is SGCMZXVWDGIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H5NO.2O.W/c1-3-5-7-8-6-4-2;7-5-3-1-2-4-6-5;;;/h3-8H2,1-2H3;1-4H,(H,6,7);;;.
What are the key properties of dioxotungsten;octane;1H-pyridin-2-one?
dioxotungsten;octane;1H-pyridin-2-one has a molecular weight of 425.17 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotungsten;octane;1H-pyridin-2-one is sourced from PubChem (CID 175210750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).