cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)

C20H26CoO2 — CID 87505213

IUPACcobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)
SMILESCC1=C(C)C(C)C([C-]=O)=C1C.CC1=C(C)C(C)C([C-]=O)=C1C.[Co+2]
InChIInChI=1S/2C10H13O.Co/c2*1-6-7(2)9(4)10(5-11)8(6)3;/h2*8H,1-4H3;/q2*-1;+2
InChIKeyQKKDFUYIARKROV-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.79
Rot. Bonds2

About cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)

cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone) (PubChem CID 87505213) has the molecular formula C20H26CoO2 and a molecular weight of 357.36 g/mol. Its IUPAC name is cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone).

Molecular Properties

Compound Namecobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)
PubChem CID87505213
Molecular FormulaC20H26CoO2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Namecobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)
SMILESCC1=C(C)C(C)C([C-]=O)=C1C.CC1=C(C)C(C)C([C-]=O)=C1C.[Co+2]
InChIInChI=1S/2C10H13O.Co/c2*1-6-7(2)9(4)10(5-11)8(6)3;/h2*8H,1-4H3;/q2*-1;+2
InChIKeyQKKDFUYIARKROV-UHFFFAOYSA-N
XLogP4.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)?
The IUPAC name of cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone) (CID 87505213) is cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone).
What is the SMILES notation for cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)?
The canonical SMILES for cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone) is CC1=C(C)C(C)C([C-]=O)=C1C.CC1=C(C)C(C)C([C-]=O)=C1C.[Co+2].
What is the InChIKey of cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)?
The InChIKey is QKKDFUYIARKROV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13O.Co/c2*1-6-7(2)9(4)10(5-11)8(6)3;/h2*8H,1-4H3;/q2*-1;+2.
What are the key properties of cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)?
cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone) has a molecular weight of 357.36 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone) is sourced from PubChem (CID 87505213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).