carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one

C17H10Co2O8 — CID 10895801

IUPACcarbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one
SMILESC=CC(=O)C#CCCc1ccco1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C11H10O2.6CO.2Co/c1-2-10(12)6-3-4-7-11-8-5-9-13-11;6*1-2;;/h2,5,8-9H,1,4,7H2;;;;;;;;
InChIKeyBLWUNGAZGVKURA-UHFFFAOYSA-N
MW460.13 g/mol
LogP1.74
Rot. Bonds3

About carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one

carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one (PubChem CID 10895801) has the molecular formula C17H10Co2O8 and a molecular weight of 460.13 g/mol. Its IUPAC name is carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one.

Molecular Properties

Compound Namecarbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one
PubChem CID10895801
Molecular FormulaC17H10Co2O8
Molecular Weight460.13 g/mol
Exact Mass459.90
IUPAC Namecarbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one
SMILESC=CC(=O)C#CCCc1ccco1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C11H10O2.6CO.2Co/c1-2-10(12)6-3-4-7-11-8-5-9-13-11;6*1-2;;/h2,5,8-9H,1,4,7H2;;;;;;;;
InChIKeyBLWUNGAZGVKURA-UHFFFAOYSA-N
XLogP1.74
TPSA149.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one?
The IUPAC name of carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one (CID 10895801) is carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one.
What is the SMILES notation for carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one?
The canonical SMILES for carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one is C=CC(=O)C#CCCc1ccco1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one?
The InChIKey is BLWUNGAZGVKURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.6CO.2Co/c1-2-10(12)6-3-4-7-11-8-5-9-13-11;6*1-2;;/h2,5,8-9H,1,4,7H2;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one?
carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one has a molecular weight of 460.13 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;7-(furan-2-yl)hept-1-en-4-yn-3-one is sourced from PubChem (CID 10895801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).