cobalt;formaldehyde;prop-2-yn-1-ol

C15H27Co2O13- — CID 173026144

IUPACcobalt;formaldehyde;prop-2-yn-1-ol
SMILESC=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[C-]#CCO.[Co].[Co]
InChIInChI=1S/C3H3O.12CH2O.2Co/c1-2-3-4;12*1-2;;/h4H,3H2;12*1H2;;/q-1;;;;;;;;;;;;;;
InChIKeyLKLDXSUPTDKJHK-UHFFFAOYSA-N
MW533.23 g/mol
LogP-2.66
Rot. Bonds

About cobalt;formaldehyde;prop-2-yn-1-ol

cobalt;formaldehyde;prop-2-yn-1-ol (PubChem CID 173026144) has the molecular formula C15H27Co2O13- and a molecular weight of 533.23 g/mol. Its IUPAC name is cobalt;formaldehyde;prop-2-yn-1-ol.

Molecular Properties

Compound Namecobalt;formaldehyde;prop-2-yn-1-ol
PubChem CID173026144
Molecular FormulaC15H27Co2O13-
Molecular Weight533.23 g/mol
Exact Mass533.01
IUPAC Namecobalt;formaldehyde;prop-2-yn-1-ol
SMILESC=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[C-]#CCO.[Co].[Co]
InChIInChI=1S/C3H3O.12CH2O.2Co/c1-2-3-4;12*1-2;;/h4H,3H2;12*1H2;;/q-1;;;;;;;;;;;;;;
InChIKeyLKLDXSUPTDKJHK-UHFFFAOYSA-N
XLogP-2.66
TPSA225.07 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.23
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

but-2-yne-1,4-diol;bis(2-methylprop-2-enoic acid)
CID 88795162
carbanide;cobalt;formaldehyde
CID 173095554
4-methylidenepent-2-yne-1,5-diol
CID 86231989
potassium 2-methylbut-1-en-3-yne
CID 10909509
azane;ethane;ethanol;formaldehyde;propane
CID 159875999
carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione
CID 5148801
(E)-8-hydroxy-5-methylideneoct-6-en-2-one
CID 15853373
2-hydroxyacetonitrile
CID 169441671
CID 102256300
CID 102256300
4-methylidenehex-2-yn-1-ol
CID 86092804
CID 166060529
CID 166060529
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980

Frequently Asked Questions

What is the IUPAC name of cobalt;formaldehyde;prop-2-yn-1-ol?
The IUPAC name of cobalt;formaldehyde;prop-2-yn-1-ol (CID 173026144) is cobalt;formaldehyde;prop-2-yn-1-ol.
What is the SMILES notation for cobalt;formaldehyde;prop-2-yn-1-ol?
The canonical SMILES for cobalt;formaldehyde;prop-2-yn-1-ol is C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[C-]#CCO.[Co].[Co].
What is the InChIKey of cobalt;formaldehyde;prop-2-yn-1-ol?
The InChIKey is LKLDXSUPTDKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O.12CH2O.2Co/c1-2-3-4;12*1-2;;/h4H,3H2;12*1H2;;/q-1;;;;;;;;;;;;;;.
What are the key properties of cobalt;formaldehyde;prop-2-yn-1-ol?
cobalt;formaldehyde;prop-2-yn-1-ol has a molecular weight of 533.23 g/mol, XLogP of -2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;formaldehyde;prop-2-yn-1-ol is sourced from PubChem (CID 173026144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).