dicopper;ethane;methane;tetraacetate

C35H94Cu2O8 — CID 167657865

IUPACdicopper;ethane;methane;tetraacetate
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/4C2H4O2.13C2H6.CH4.2Cu/c4*1-2(3)4;13*1-2;;;/h4*1H3,(H,3,4);13*1-2H3;1H4;;/q;;;;;;;;;;;;;;;;;;2*+2/p-4
InChIKeyCVLFCKBQCLPNOZ-UHFFFAOYSA-J
MW770.22 g/mol
LogP9.00
Rot. Bonds

About dicopper;ethane;methane;tetraacetate

dicopper;ethane;methane;tetraacetate (PubChem CID 167657865) has the molecular formula C35H94Cu2O8 and a molecular weight of 770.22 g/mol. Its IUPAC name is dicopper;ethane;methane;tetraacetate.

Molecular Properties

Compound Namedicopper;ethane;methane;tetraacetate
PubChem CID167657865
Molecular FormulaC35H94Cu2O8
Molecular Weight770.22 g/mol
Exact Mass768.55
IUPAC Namedicopper;ethane;methane;tetraacetate
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/4C2H4O2.13C2H6.CH4.2Cu/c4*1-2(3)4;13*1-2;;;/h4*1H3,(H,3,4);13*1-2H3;1H4;;/q;;;;;;;;;;;;;;;;;;2*+2/p-4
InChIKeyCVLFCKBQCLPNOZ-UHFFFAOYSA-J
XLogP9.00
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.22
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

dicopper diacetate
CID 158276690
copper;diacetate;trihydrate
CID 161466720
copper;iron(3+);diacetate;trichloride
CID 173400974
CID 87243144
CID 87243144
bis(titanium(2+));tetraacetate
CID 18459511
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
germanium(4+) tetraacetate
CID 158263361
bis(cobalt(2+));tetraacetate
CID 157121376

Frequently Asked Questions

What is the IUPAC name of dicopper;ethane;methane;tetraacetate?
The IUPAC name of dicopper;ethane;methane;tetraacetate (CID 167657865) is dicopper;ethane;methane;tetraacetate.
What is the SMILES notation for dicopper;ethane;methane;tetraacetate?
The canonical SMILES for dicopper;ethane;methane;tetraacetate is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;ethane;methane;tetraacetate?
The InChIKey is CVLFCKBQCLPNOZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H4O2.13C2H6.CH4.2Cu/c4*1-2(3)4;13*1-2;;;/h4*1H3,(H,3,4);13*1-2H3;1H4;;/q;;;;;;;;;;;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;ethane;methane;tetraacetate?
dicopper;ethane;methane;tetraacetate has a molecular weight of 770.22 g/mol, XLogP of 9.00, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;ethane;methane;tetraacetate is sourced from PubChem (CID 167657865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).