carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione

C14H9Co2O8+2 — CID 5148801

IUPACcarbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione
SMILES[C-]#CCC(C(C)=O)C(C)=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co+3].[Co]
InChIInChI=1S/C8H9O2.6CO.2Co/c1-4-5-8(6(2)9)7(3)10;6*1-2;;/h8H,5H2,2-3H3;;;;;;;;/q-1;;;;;;;;+3
InChIKeyOTLAPNSQLMRIRF-UHFFFAOYSA-N
MW423.08 g/mol
LogP0.53
Rot. Bonds3

About carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione

carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione (PubChem CID 5148801) has the molecular formula C14H9Co2O8+2 and a molecular weight of 423.08 g/mol. Its IUPAC name is carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione.

Molecular Properties

Compound Namecarbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione
PubChem CID5148801
Molecular FormulaC14H9Co2O8+2
Molecular Weight423.08 g/mol
Exact Mass422.90
IUPAC Namecarbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione
SMILES[C-]#CCC(C(C)=O)C(C)=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co+3].[Co]
InChIInChI=1S/C8H9O2.6CO.2Co/c1-4-5-8(6(2)9)7(3)10;6*1-2;;/h8H,5H2,2-3H3;;;;;;;;/q-1;;;;;;;;+3
InChIKeyOTLAPNSQLMRIRF-UHFFFAOYSA-N
XLogP0.53
TPSA153.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.08
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione?
The IUPAC name of carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione (CID 5148801) is carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione.
What is the SMILES notation for carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione?
The canonical SMILES for carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione is [C-]#CCC(C(C)=O)C(C)=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co+3].[Co].
What is the InChIKey of carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione?
The InChIKey is OTLAPNSQLMRIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2.6CO.2Co/c1-4-5-8(6(2)9)7(3)10;6*1-2;;/h8H,5H2,2-3H3;;;;;;;;/q-1;;;;;;;;+3.
What are the key properties of carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione?
carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione has a molecular weight of 423.08 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;cobalt(3+);3-prop-2-ynylpentane-2,4-dione is sourced from PubChem (CID 5148801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).