carbon monoxide;1-methoxyhept-2-ynylidenetungsten

C13H12O6W — CID 10906434

IUPACcarbon monoxide;1-methoxyhept-2-ynylidenetungsten
SMILESCCCCC#CC(=[W])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C8H12O.5CO.W/c1-3-4-5-6-7-8-9-2;5*1-2;/h3-5H2,1-2H3;;;;;;
InChIKeyZVCKWKQPUXTZAF-UHFFFAOYSA-N
MW448.07 g/mol
LogP1.32
Rot. Bonds3

About carbon monoxide;1-methoxyhept-2-ynylidenetungsten

carbon monoxide;1-methoxyhept-2-ynylidenetungsten (PubChem CID 10906434) has the molecular formula C13H12O6W and a molecular weight of 448.07 g/mol. Its IUPAC name is carbon monoxide;1-methoxyhept-2-ynylidenetungsten.

Molecular Properties

Compound Namecarbon monoxide;1-methoxyhept-2-ynylidenetungsten
PubChem CID10906434
Molecular FormulaC13H12O6W
Molecular Weight448.07 g/mol
Exact Mass448.01
IUPAC Namecarbon monoxide;1-methoxyhept-2-ynylidenetungsten
SMILESCCCCC#CC(=[W])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C8H12O.5CO.W/c1-3-4-5-6-7-8-9-2;5*1-2;/h3-5H2,1-2H3;;;;;;
InChIKeyZVCKWKQPUXTZAF-UHFFFAOYSA-N
XLogP1.32
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.07
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10887980
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CID 135010412
pentadeca-5,10-diyne
CID 15530767
1-methoxybut-2-ynylidenetungsten
CID 14663156
undec-6-yn-5-one
CID 11240698
(3Z)-2,3,4-trimethoxytetradeca-1,3-dien-5,9-diyn-1-one
CID 134874026
2,2-dimethylnon-4-yn-3-one
CID 10773384
dimethyl nona-2,7-diynedioate
CID 11858703
methyl 8-oxooctadec-9-ynoate
CID 71332554
tetradeca-4,9-diyne
CID 173328648
1-hydroxy-2,2-dimethyldec-5-yn-4-one
CID 102020461
CID 13112965
CID 13112965

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-methoxyhept-2-ynylidenetungsten?
The IUPAC name of carbon monoxide;1-methoxyhept-2-ynylidenetungsten (CID 10906434) is carbon monoxide;1-methoxyhept-2-ynylidenetungsten.
What is the SMILES notation for carbon monoxide;1-methoxyhept-2-ynylidenetungsten?
The canonical SMILES for carbon monoxide;1-methoxyhept-2-ynylidenetungsten is CCCCC#CC(=[W])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;1-methoxyhept-2-ynylidenetungsten?
The InChIKey is ZVCKWKQPUXTZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.5CO.W/c1-3-4-5-6-7-8-9-2;5*1-2;/h3-5H2,1-2H3;;;;;;.
What are the key properties of carbon monoxide;1-methoxyhept-2-ynylidenetungsten?
carbon monoxide;1-methoxyhept-2-ynylidenetungsten has a molecular weight of 448.07 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-methoxyhept-2-ynylidenetungsten is sourced from PubChem (CID 10906434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).