4-ethyloxane;methanol;tungsten

C8H17O2W- — CID 153396795

IUPAC4-ethyloxane;methanol;tungsten
SMILESCO.C[CH-]C1CCOCC1.[W]
InChIInChI=1S/C7H13O.CH4O.W/c1-2-7-3-5-8-6-4-7;1-2;/h2,7H,3-6H2,1H3;2H,1H3;/q-1;;
InChIKeySPGHWHXYZROUGE-UHFFFAOYSA-N
MW329.06 g/mol
LogP1.24
Rot. Bonds1

About 4-ethyloxane;methanol;tungsten

4-ethyloxane;methanol;tungsten (PubChem CID 153396795) has the molecular formula C8H17O2W- and a molecular weight of 329.06 g/mol. Its IUPAC name is 4-ethyloxane;methanol;tungsten.

Molecular Properties

Compound Name4-ethyloxane;methanol;tungsten
PubChem CID153396795
Molecular FormulaC8H17O2W-
Molecular Weight329.06 g/mol
Exact Mass329.07
IUPAC Name4-ethyloxane;methanol;tungsten
SMILESCO.C[CH-]C1CCOCC1.[W]
InChIInChI=1S/C7H13O.CH4O.W/c1-2-7-3-5-8-6-4-7;1-2;/h2,7H,3-6H2,1H3;2H,1H3;/q-1;;
InChIKeySPGHWHXYZROUGE-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.06
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyloxane;methanol;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethane-1,2-diol;4-methyloxane
CID 69825154
2-Ethyl-4-(2-methylpropoxy)butan-1-ol
CID 87369659
Acetylene;ethane;methanol;4-methyloxane
CID 143101142
Ethane;ethene;methanol;4-methyloxane
CID 143101227
4-Methyloxane;3-methylpentan-1-ol
CID 143130034
Ethanol;3-ethyloxolane;methane
CID 143758697
Methoxymethane;4-methyloxane
CID 144411700
Ethane;methanol;3-methyloxane
CID 144437761
Oxan-4-ylmethanol;propane
CID 144745380
Methanol;4-methyloxane
CID 145298194
Ethane;4-(hydroperoxymethyl)oxane
CID 145333672
Ethane;2-(oxan-4-yl)ethanol
CID 145704506

Frequently Asked Questions

What is the IUPAC name of 4-ethyloxane;methanol;tungsten?
The IUPAC name of 4-ethyloxane;methanol;tungsten (CID 153396795) is 4-ethyloxane;methanol;tungsten.
What is the SMILES notation for 4-ethyloxane;methanol;tungsten?
The canonical SMILES for 4-ethyloxane;methanol;tungsten is CO.C[CH-]C1CCOCC1.[W].
What is the InChIKey of 4-ethyloxane;methanol;tungsten?
The InChIKey is SPGHWHXYZROUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.CH4O.W/c1-2-7-3-5-8-6-4-7;1-2;/h2,7H,3-6H2,1H3;2H,1H3;/q-1;;.
What are the key properties of 4-ethyloxane;methanol;tungsten?
4-ethyloxane;methanol;tungsten has a molecular weight of 329.06 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxane;methanol;tungsten is sourced from PubChem (CID 153396795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).