benzene;4-ethylmorpholine;oxocobalt

C12H17CoNO2-2 — CID 89353225

IUPACbenzene;4-ethylmorpholine;oxocobalt
SMILESO=[Co].[CH2-]CN1CCOCC1.[c-]1ccccc1
InChIInChI=1S/C6H12NO.C6H5.Co.O/c1-2-7-3-5-8-6-4-7;1-2-4-6-5-3-1;;/h1-6H2;1-5H;;/q2*-1;;
InChIKeyOJOCZATZSFWWIF-UHFFFAOYSA-N
MW266.21 g/mol
LogP1.52
Rot. Bonds1

About benzene;4-ethylmorpholine;oxocobalt

benzene;4-ethylmorpholine;oxocobalt (PubChem CID 89353225) has the molecular formula C12H17CoNO2-2 and a molecular weight of 266.21 g/mol. Its IUPAC name is benzene;4-ethylmorpholine;oxocobalt.

Molecular Properties

Compound Namebenzene;4-ethylmorpholine;oxocobalt
PubChem CID89353225
Molecular FormulaC12H17CoNO2-2
Molecular Weight266.21 g/mol
Exact Mass266.06
IUPAC Namebenzene;4-ethylmorpholine;oxocobalt
SMILESO=[Co].[CH2-]CN1CCOCC1.[c-]1ccccc1
InChIInChI=1S/C6H12NO.C6H5.Co.O/c1-2-7-3-5-8-6-4-7;1-2-4-6-5-3-1;;/h1-6H2;1-5H;;/q2*-1;;
InChIKeyOJOCZATZSFWWIF-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 benzene;4-ethylmorpholine;oxocobalt?
The IUPAC name of benzene;4-ethylmorpholine;oxocobalt (CID 89353225) is benzene;4-ethylmorpholine;oxocobalt.
What is the SMILES notation for benzene;4-ethylmorpholine;oxocobalt?
The canonical SMILES for benzene;4-ethylmorpholine;oxocobalt is O=[Co].[CH2-]CN1CCOCC1.[c-]1ccccc1.
What is the InChIKey of benzene;4-ethylmorpholine;oxocobalt?
The InChIKey is OJOCZATZSFWWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO.C6H5.Co.O/c1-2-7-3-5-8-6-4-7;1-2-4-6-5-3-1;;/h1-6H2;1-5H;;/q2*-1;;.
What are the key properties of benzene;4-ethylmorpholine;oxocobalt?
benzene;4-ethylmorpholine;oxocobalt has a molecular weight of 266.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-ethylmorpholine;oxocobalt is sourced from PubChem (CID 89353225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).