1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane

C9H19NiO- — CID 20635141

IUPAC1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane
SMILESCC(=[Ni])OC(C)(C)C.[CH2-]CC
InChIInChI=1S/C6H12O.C3H7.Ni/c1-5-7-6(2,3)4;1-3-2;/h1-4H3;1,3H2,2H3;/q;-1;
InChIKeyHDYJZSPCITWQCM-UHFFFAOYSA-N
MW201.94 g/mol
LogP2.73
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane

1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane (PubChem CID 20635141) has the molecular formula C9H19NiO- and a molecular weight of 201.94 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane
PubChem CID20635141
Molecular FormulaC9H19NiO-
Molecular Weight201.94 g/mol
Exact Mass201.08
IUPAC Name1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane
SMILESCC(=[Ni])OC(C)(C)C.[CH2-]CC
InChIInChI=1S/C6H12O.C3H7.Ni/c1-5-7-6(2,3)4;1-3-2;/h1-4H3;1,3H2,2H3;/q;-1;
InChIKeyHDYJZSPCITWQCM-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.94
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane (CID 20635141) is 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane is CC(=[Ni])OC(C)(C)C.[CH2-]CC.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane?
The InChIKey is HDYJZSPCITWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H7.Ni/c1-5-7-6(2,3)4;1-3-2;/h1-4H3;1,3H2,2H3;/q;-1;.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane?
1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane has a molecular weight of 201.94 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]ethylidenenickel;propane is sourced from PubChem (CID 20635141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).