carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)

C11H21O3PW — CID 20576712

IUPACcarbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
SMILESCOC1C(C=O)O[CH-]C(CPC)C1C.[CH3-].[W+2]
InChIInChI=1S/C10H18O3P.CH3.W/c1-7-8(6-14-3)5-13-9(4-11)10(7)12-2;;/h4-5,7-10,14H,6H2,1-3H3;1H3;/q2*-1;+2
InChIKeyDMLVBLSDCOLYFS-UHFFFAOYSA-N
MW416.10 g/mol
LogP1.77
Rot. Bonds4

About carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)

carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+) (PubChem CID 20576712) has the molecular formula C11H21O3PW and a molecular weight of 416.10 g/mol. Its IUPAC name is carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+).

Molecular Properties

Compound Namecarbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
PubChem CID20576712
Molecular FormulaC11H21O3PW
Molecular Weight416.10 g/mol
Exact Mass416.07
IUPAC Namecarbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)
SMILESCOC1C(C=O)O[CH-]C(CPC)C1C.[CH3-].[W+2]
InChIInChI=1S/C10H18O3P.CH3.W/c1-7-8(6-14-3)5-13-9(4-11)10(7)12-2;;/h4-5,7-10,14H,6H2,1-3H3;1H3;/q2*-1;+2
InChIKeyDMLVBLSDCOLYFS-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.10
LogP ≤ 51.77
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)?
The IUPAC name of carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+) (CID 20576712) is carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+).
What is the SMILES notation for carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)?
The canonical SMILES for carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+) is COC1C(C=O)O[CH-]C(CPC)C1C.[CH3-].[W+2].
What is the InChIKey of carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)?
The InChIKey is DMLVBLSDCOLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3P.CH3.W/c1-7-8(6-14-3)5-13-9(4-11)10(7)12-2;;/h4-5,7-10,14H,6H2,1-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+)?
carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+) has a molecular weight of 416.10 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methoxy-4-methyl-5-(methylphosphanylmethyl)-3,4,5,6-tetrahydro-2H-pyran-6-ide-2-carbaldehyde;tungsten(2+) is sourced from PubChem (CID 20576712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).