6-ethyldecan-5-yloxy(oxo)phosphanium;nickel

C12H26NiO2P+ — CID 160585258

IUPAC6-ethyldecan-5-yloxy(oxo)phosphanium;nickel
SMILESCCCCC(CC)C(CCCC)O[PH+]=O.[Ni]
InChIInChI=1S/C12H26O2P.Ni/c1-4-7-9-11(6-3)12(14-15-13)10-8-5-2;/h11-12,15H,4-10H2,1-3H3;/q+1;
InChIKeyKVXDHEZNFBNHFX-UHFFFAOYSA-N
MW292.00 g/mol
LogP4.71
Rot. Bonds10

About 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel

6-ethyldecan-5-yloxy(oxo)phosphanium;nickel (PubChem CID 160585258) has the molecular formula C12H26NiO2P+ and a molecular weight of 292.00 g/mol. Its IUPAC name is 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel.

Molecular Properties

Compound Name6-ethyldecan-5-yloxy(oxo)phosphanium;nickel
PubChem CID160585258
Molecular FormulaC12H26NiO2P+
Molecular Weight292.00 g/mol
Exact Mass291.10
IUPAC Name6-ethyldecan-5-yloxy(oxo)phosphanium;nickel
SMILESCCCCC(CC)C(CCCC)O[PH+]=O.[Ni]
InChIInChI=1S/C12H26O2P.Ni/c1-4-7-9-11(6-3)12(14-15-13)10-8-5-2;/h11-12,15H,4-10H2,1-3H3;/q+1;
InChIKeyKVXDHEZNFBNHFX-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyloctan-4-yloxy(oxo)phosphanium
CID 150301272
4-ethyl-5-(4-ethylnonan-5-yloxy)nonane
CID 88635662
6-ethyldecan-5-yloxy hydrogen carbonate
CID 87793236
5-ethylundecan-6-yloxy hydrogen carbonate
CID 87718198
4-ethyl-3-(4-ethyl-1-sulfanyloctan-3-yl)oxyoctane-1-thiol
CID 139643596
4,5-diethylnonane
CID 21188862
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
5-butylnonan-4-yloxysilane
CID 173017008
bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
CID 23131996
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel?
The IUPAC name of 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel (CID 160585258) is 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel.
What is the SMILES notation for 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel?
The canonical SMILES for 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel is CCCCC(CC)C(CCCC)O[PH+]=O.[Ni].
What is the InChIKey of 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel?
The InChIKey is KVXDHEZNFBNHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2P.Ni/c1-4-7-9-11(6-3)12(14-15-13)10-8-5-2;/h11-12,15H,4-10H2,1-3H3;/q+1;.
What are the key properties of 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel?
6-ethyldecan-5-yloxy(oxo)phosphanium;nickel has a molecular weight of 292.00 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldecan-5-yloxy(oxo)phosphanium;nickel is sourced from PubChem (CID 160585258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).