cobalt;methanone;triethyl(ethynyl)phosphanium

C18H26Co2O10P-9 — CID 174829374

IUPACcobalt;methanone;triethyl(ethynyl)phosphanium
SMILESC#C[P+](CC)(CC)CC.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co]
InChIInChI=1S/C8H16P.10CHO.2Co/c1-5-9(6-2,7-3)8-4;10*1-2;;/h1H,6-8H2,2-4H3;10*1H;;/q+1;10*-1;;
InChIKeyUFDKUHKKJOHFEJ-UHFFFAOYSA-N
MW551.24 g/mol
LogP-0.09
Rot. Bonds3

About cobalt;methanone;triethyl(ethynyl)phosphanium

cobalt;methanone;triethyl(ethynyl)phosphanium (PubChem CID 174829374) has the molecular formula C18H26Co2O10P-9 and a molecular weight of 551.24 g/mol. Its IUPAC name is cobalt;methanone;triethyl(ethynyl)phosphanium.

Molecular Properties

Compound Namecobalt;methanone;triethyl(ethynyl)phosphanium
PubChem CID174829374
Molecular FormulaC18H26Co2O10P-9
Molecular Weight551.24 g/mol
Exact Mass551.00
IUPAC Namecobalt;methanone;triethyl(ethynyl)phosphanium
SMILESC#C[P+](CC)(CC)CC.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co]
InChIInChI=1S/C8H16P.10CHO.2Co/c1-5-9(6-2,7-3)8-4;10*1-2;;/h1H,6-8H2,2-4H3;10*1H;;/q+1;10*-1;;
InChIKeyUFDKUHKKJOHFEJ-UHFFFAOYSA-N
XLogP-0.09
TPSA170.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-fluoropent-1-yne
CID 91592004
3-ethyl-4-methylpent-1-yne
CID 15093812
pent-1-yn-3-amine;hydrochloride
CID 75480843
2-ethylbut-3-ynyl(oxo)sulfanium
CID 174641255
cobalt;3,3-dimethylbut-1-yne;methanone
CID 175068108
2-ethylbut-3-yne-1-thiol
CID 57216004
but-1-yne;propan-2-ylsilane
CID 174573214
pent-1-yn-3-yl hydrogen carbonate
CID 89437565
(3R,4R)-4-methylhex-1-yn-3-amine
CID 130642169
4-methylhex-1-yn-3-ol
CID 64914374
4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
3-ethylsulfanylpent-1-yne
CID 134993506

Frequently Asked Questions

What is the IUPAC name of cobalt;methanone;triethyl(ethynyl)phosphanium?
The IUPAC name of cobalt;methanone;triethyl(ethynyl)phosphanium (CID 174829374) is cobalt;methanone;triethyl(ethynyl)phosphanium.
What is the SMILES notation for cobalt;methanone;triethyl(ethynyl)phosphanium?
The canonical SMILES for cobalt;methanone;triethyl(ethynyl)phosphanium is C#C[P+](CC)(CC)CC.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co].
What is the InChIKey of cobalt;methanone;triethyl(ethynyl)phosphanium?
The InChIKey is UFDKUHKKJOHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16P.10CHO.2Co/c1-5-9(6-2,7-3)8-4;10*1-2;;/h1H,6-8H2,2-4H3;10*1H;;/q+1;10*-1;;.
What are the key properties of cobalt;methanone;triethyl(ethynyl)phosphanium?
cobalt;methanone;triethyl(ethynyl)phosphanium has a molecular weight of 551.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;methanone;triethyl(ethynyl)phosphanium is sourced from PubChem (CID 174829374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).