copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)

C28H52CuN4O4 — CID 173355267

IUPACcopper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)
SMILES[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[Cu]
InChIInChI=1S/4C7H13NO.Cu/c4*1-5-9-7(2,3)6-8-4;/h4*5-6H2,1-3H3;
InChIKeyDAZXBOVWGBZJAC-UHFFFAOYSA-N
MW572.29 g/mol
LogP6.88
Rot. Bonds12

About copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)

copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane) (PubChem CID 173355267) has the molecular formula C28H52CuN4O4 and a molecular weight of 572.29 g/mol. Its IUPAC name is copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane).

Molecular Properties

Compound Namecopper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)
PubChem CID173355267
Molecular FormulaC28H52CuN4O4
Molecular Weight572.29 g/mol
Exact Mass571.33
IUPAC Namecopper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)
SMILES[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[Cu]
InChIInChI=1S/4C7H13NO.Cu/c4*1-5-9-7(2,3)6-8-4;/h4*5-6H2,1-3H3;
InChIKeyDAZXBOVWGBZJAC-UHFFFAOYSA-N
XLogP6.88
TPSA54.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.29
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)
CID 85048095
carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99
CID 10218046
2-(2-ethoxy-2-methylpropoxy)-2-methylbutane
CID 91499831
2-ethoxy-1-(2-ethoxyethoxy)-2-methylpropane;2-(2-hydroxyethoxy)ethanol
CID 161457793
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
CID 155135764
(2-ethoxy-2-methylpropyl)-methanidylazanium
CID 155624717
2-ethoxy-2-methylundecane
CID 150956805
2,2-diethoxy-1-methoxypropane
CID 168868590
1,3-diethoxy-2-(ethoxymethyl)-2-isocyanopropane
CID 87449116

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)?
The IUPAC name of copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane) (CID 173355267) is copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane).
What is the SMILES notation for copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)?
The canonical SMILES for copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane) is [C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[C-]#[N+]CC(C)(C)OCC.[Cu].
What is the InChIKey of copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)?
The InChIKey is DAZXBOVWGBZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H13NO.Cu/c4*1-5-9-7(2,3)6-8-4;/h4*5-6H2,1-3H3;.
What are the key properties of copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)?
copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane) has a molecular weight of 572.29 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane) is sourced from PubChem (CID 173355267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).