copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)

C24H34CuO14 — CID 18594021

IUPACcopper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)
SMILESCC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1.CC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1.[Cu+2]
InChIInChI=1S/2C12H18O7.Cu/c2*1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h2*6-8H,5H2,1-4H3,(H,13,14);/q;;+2/p-2/t2*6-,7+,8-,12+;/m00./s1
InChIKeyCSFOWXFXRZGADQ-GADKYXIFSA-L
MW610.07 g/mol
LogP-1.73
Rot. Bonds2

About copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)

copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate) (PubChem CID 18594021) has the molecular formula C24H34CuO14 and a molecular weight of 610.07 g/mol. Its IUPAC name is copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate).

Molecular Properties

Compound Namecopper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)
PubChem CID18594021
Molecular FormulaC24H34CuO14
Molecular Weight610.07 g/mol
Exact Mass609.12
IUPAC Namecopper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)
SMILESCC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1.CC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1.[Cu+2]
InChIInChI=1S/2C12H18O7.Cu/c2*1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h2*6-8H,5H2,1-4H3,(H,13,14);/q;;+2/p-2/t2*6-,7+,8-,12+;/m00./s1
InChIKeyCSFOWXFXRZGADQ-GADKYXIFSA-L
XLogP-1.73
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.07
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)?
The IUPAC name of copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate) (CID 18594021) is copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate).
What is the SMILES notation for copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)?
The canonical SMILES for copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate) is CC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1.CC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1.[Cu+2].
What is the InChIKey of copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)?
The InChIKey is CSFOWXFXRZGADQ-GADKYXIFSA-L. The full InChI is InChI=1S/2C12H18O7.Cu/c2*1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h2*6-8H,5H2,1-4H3,(H,13,14);/q;;+2/p-2/t2*6-,7+,8-,12+;/m00./s1.
What are the key properties of copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)?
copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate) has a molecular weight of 610.07 g/mol, XLogP of -1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate) is sourced from PubChem (CID 18594021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).