carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)

C9H10OW — CID 59723801

IUPACcarbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)
SMILESCc1c[c-]c(C=O)cc1.[CH3-].[W+2]
InChIInChI=1S/C8H7O.CH3.W/c1-7-2-4-8(6-9)5-3-7;;/h2-4,6H,1H3;1H3;/q2*-1;+2
InChIKeyYRNOOUYSCAKACW-UHFFFAOYSA-N
MW318.02 g/mol
LogP2.06
Rot. Bonds1

About carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)

carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+) (PubChem CID 59723801) has the molecular formula C9H10OW and a molecular weight of 318.02 g/mol. Its IUPAC name is carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+).

Molecular Properties

Compound Namecarbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)
PubChem CID59723801
Molecular FormulaC9H10OW
Molecular Weight318.02 g/mol
Exact Mass318.02
IUPAC Namecarbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)
SMILESCc1c[c-]c(C=O)cc1.[CH3-].[W+2]
InChIInChI=1S/C8H7O.CH3.W/c1-7-2-4-8(6-9)5-3-7;;/h2-4,6H,1H3;1H3;/q2*-1;+2
InChIKeyYRNOOUYSCAKACW-UHFFFAOYSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.02
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)
CID 20785774
CID 156800178
CID 156800178
carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))
CID 158638059
sodium;hydride;4-methylbenzaldehyde
CID 173013137
CID 143927164
CID 143927164
1-chloro-4-methylbenzene;formic acid
CID 158103199
2-ethyl-4-methylbenzaldehyde
CID 58929233
carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium
CID 159405287
5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
CID 75359365
2,5-dimethylbenzaldehyde;ethane
CID 142106726
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
2-iodyl-4-methylbenzaldehyde
CID 172555476

Frequently Asked Questions

What is the IUPAC name of carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)?
The IUPAC name of carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+) (CID 59723801) is carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+).
What is the SMILES notation for carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)?
The canonical SMILES for carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+) is Cc1c[c-]c(C=O)cc1.[CH3-].[W+2].
What is the InChIKey of carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)?
The InChIKey is YRNOOUYSCAKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O.CH3.W/c1-7-2-4-8(6-9)5-3-7;;/h2-4,6H,1H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)?
carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+) has a molecular weight of 318.02 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+) is sourced from PubChem (CID 59723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).