carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide

C15H13CoCrFeO9S- — CID 23232725

IUPACcarbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
SMILESCC(=O)C1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Cr].[Fe].[SH-]
InChIInChI=1S/C7H12O.8CO.Co.Cr.Fe.H2S/c1-6(8)7-4-2-3-5-7;8*1-2;;;;/h7H,2-5H2,1H3;;;;;;;;;;;;1H2/p-1
InChIKeyVCCAMXFEBDSOAQ-UHFFFAOYSA-M
MW536.10 g/mol
LogP1.19
Rot. Bonds1

About carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide

carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide (PubChem CID 23232725) has the molecular formula C15H13CoCrFeO9S- and a molecular weight of 536.10 g/mol. Its IUPAC name is carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide.

Molecular Properties

Compound Namecarbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
PubChem CID23232725
Molecular FormulaC15H13CoCrFeO9S-
Molecular Weight536.10 g/mol
Exact Mass535.84
IUPAC Namecarbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
SMILESCC(=O)C1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Cr].[Fe].[SH-]
InChIInChI=1S/C7H12O.8CO.Co.Cr.Fe.H2S/c1-6(8)7-4-2-3-5-7;8*1-2;;;;/h7H,2-5H2,1H3;;;;;;;;;;;;1H2/p-1
InChIKeyVCCAMXFEBDSOAQ-UHFFFAOYSA-M
XLogP1.19
TPSA176.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.10
LogP ≤ 51.19
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentylethanone;propane
CID 145026358
CID 88741399
CID 88741399
acetylene;1-cyclohexylethanone;prop-1-yne
CID 143179551
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
1-piperidin-4-ylethanone
CID 2723764
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
1-cyclooct-3-en-1-ylethanone
CID 66747175
1-[(1R,3Z)-cyclooct-3-en-1-yl]ethanone
CID 175990240
1-(4-bromocyclohexyl)ethanone
CID 118688836
1-(thian-4-yl)ethanone
CID 18715066

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide?
The IUPAC name of carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide (CID 23232725) is carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide.
What is the SMILES notation for carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide?
The canonical SMILES for carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide is CC(=O)C1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Cr].[Fe].[SH-].
What is the InChIKey of carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide?
The InChIKey is VCCAMXFEBDSOAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O.8CO.Co.Cr.Fe.H2S/c1-6(8)7-4-2-3-5-7;8*1-2;;;;/h7H,2-5H2,1H3;;;;;;;;;;;;1H2/p-1.
What are the key properties of carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide?
carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide has a molecular weight of 536.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide is sourced from PubChem (CID 23232725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).