carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene

C27H16Co4O14 — CID 11251355

IUPACcarbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene
SMILESCOCC#CCC#CCOCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co]
InChIInChI=1S/C15H16O2.12CO.4Co/c1-16-12-8-3-2-4-9-13-17-14-15-10-6-5-7-11-15;12*1-2;;;;/h5-7,10-11H,2,12-14H2,1H3;;;;;;;;;;;;;;;;
InChIKeyIBPQRTDMXLOFQF-UHFFFAOYSA-N
MW800.14 g/mol
LogP1.79
Rot. Bonds4

About carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene

carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene (PubChem CID 11251355) has the molecular formula C27H16Co4O14 and a molecular weight of 800.14 g/mol. Its IUPAC name is carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene.

Molecular Properties

Compound Namecarbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene
PubChem CID11251355
Molecular FormulaC27H16Co4O14
Molecular Weight800.14 g/mol
Exact Mass799.79
IUPAC Namecarbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene
SMILESCOCC#CCC#CCOCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co]
InChIInChI=1S/C15H16O2.12CO.4Co/c1-16-12-8-3-2-4-9-13-17-14-15-10-6-5-7-11-15;12*1-2;;;;/h5-7,10-11H,2,12-14H2,1H3;;;;;;;;;;;;;;;;
InChIKeyIBPQRTDMXLOFQF-UHFFFAOYSA-N
XLogP1.79
TPSA257.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500800.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

7-phenylmethoxyhepta-2,5-diynoxymethylbenzene
CID 10930944
3-(4-methoxybut-2-ynoxy)propylbenzene
CID 101462105
6-phenylmethoxyhex-4-yne-1,2-diol
CID 56646910
ethane;phenylmethoxymethylbenzene
CID 90943549
chlorozinc(1+);prop-2-ynoxymethylbenzene
CID 134895019
2-(4-phenylmethoxybut-2-ynyl)thiirane
CID 10443388
2-phenyl-7-phenylmethoxyhept-5-yn-3-ol
CID 56646905
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
4-methoxybut-2-ynoxybenzene
CID 130831376
methoxymethylbenzene;vanadium
CID 167445376
(2R)-7-phenylmethoxyhept-5-yne-1,2,3-triol
CID 56646956
methoxymethylbenzene;silane
CID 174277199

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene?
The IUPAC name of carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene (CID 11251355) is carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene.
What is the SMILES notation for carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene?
The canonical SMILES for carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene is COCC#CCC#CCOCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene?
The InChIKey is IBPQRTDMXLOFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.12CO.4Co/c1-16-12-8-3-2-4-9-13-17-14-15-10-6-5-7-11-15;12*1-2;;;;/h5-7,10-11H,2,12-14H2,1H3;;;;;;;;;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene?
carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene has a molecular weight of 800.14 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene is sourced from PubChem (CID 11251355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).