carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)

C11H20O3W — CID 22090801

IUPACcarbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)
SMILESCOCC1(C=O)CC(C)C(C)[CH-]O1.[CH3-].[W+2]
InChIInChI=1S/C10H17O3.CH3.W/c1-8-4-10(6-11,7-12-3)13-5-9(8)2;;/h5-6,8-9H,4,7H2,1-3H3;1H3;/q2*-1;+2
InChIKeyVJYFQXFZUCESJG-UHFFFAOYSA-N
MW384.12 g/mol
LogP1.87
Rot. Bonds3

About carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)

carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+) (PubChem CID 22090801) has the molecular formula C11H20O3W and a molecular weight of 384.12 g/mol. Its IUPAC name is carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+).

Molecular Properties

Compound Namecarbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)
PubChem CID22090801
Molecular FormulaC11H20O3W
Molecular Weight384.12 g/mol
Exact Mass384.09
IUPAC Namecarbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)
SMILESCOCC1(C=O)CC(C)C(C)[CH-]O1.[CH3-].[W+2]
InChIInChI=1S/C10H17O3.CH3.W/c1-8-4-10(6-11,7-12-3)13-5-9(8)2;;/h5-6,8-9H,4,7H2,1-3H3;1H3;/q2*-1;+2
InChIKeyVJYFQXFZUCESJG-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)?
The IUPAC name of carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+) (CID 22090801) is carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+).
What is the SMILES notation for carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)?
The canonical SMILES for carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+) is COCC1(C=O)CC(C)C(C)[CH-]O1.[CH3-].[W+2].
What is the InChIKey of carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)?
The InChIKey is VJYFQXFZUCESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3.CH3.W/c1-8-4-10(6-11,7-12-3)13-5-9(8)2;;/h5-6,8-9H,4,7H2,1-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+)?
carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+) has a molecular weight of 384.12 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;6-(methoxymethyl)-3,4-dimethyl-2,3,4,5-tetrahydropyran-2-ide-6-carbaldehyde;tungsten(2+) is sourced from PubChem (CID 22090801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).