copper 4-tert-butylbenzoic acid

C11H14CuO2+2 — CID 54604773

IUPACcopper 4-tert-butylbenzoic acid
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.[Cu+2]
InChIInChI=1S/C11H14O2.Cu/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+2
InChIKeyNGGUIJPRBLBIIT-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.68
Rot. Bonds1

About copper 4-tert-butylbenzoic acid

copper 4-tert-butylbenzoic acid (PubChem CID 54604773) has the molecular formula C11H14CuO2+2 and a molecular weight of 241.78 g/mol. Its IUPAC name is copper 4-tert-butylbenzoic acid.

Molecular Properties

Compound Namecopper 4-tert-butylbenzoic acid
PubChem CID54604773
Molecular FormulaC11H14CuO2+2
Molecular Weight241.78 g/mol
Exact Mass241.03
IUPAC Namecopper 4-tert-butylbenzoic acid
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.[Cu+2]
InChIInChI=1S/C11H14O2.Cu/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+2
InChIKeyNGGUIJPRBLBIIT-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
CID 175176965
CID 175176965
methanol;4-[2,4,6-tris(4-tert-butylphenyl)-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
CID 139147300
4-[5-(4-tert-butylphenyl)-1H-pyrrol-2-yl]benzoic acid
CID 170555585
terephthalic acid
CID 160582437
4-(1-amino-1-hydroxyethyl)benzoic acid
CID 118177730
4-[4-[2-[4-(4-carboxyphenyl)phenyl]propan-2-yl]phenyl]benzoic acid
CID 158031845
acetic acid;terephthalic acid
CID 158530154
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929
CID 157428380
CID 157428380
4-tert-butylbenzoic acid;2-hydroxybutanedioic acid
CID 67739963

Frequently Asked Questions

What is the IUPAC name of copper 4-tert-butylbenzoic acid?
The IUPAC name of copper 4-tert-butylbenzoic acid (CID 54604773) is copper 4-tert-butylbenzoic acid.
What is the SMILES notation for copper 4-tert-butylbenzoic acid?
The canonical SMILES for copper 4-tert-butylbenzoic acid is CC(C)(C)c1ccc(C(=O)O)cc1.[Cu+2].
What is the InChIKey of copper 4-tert-butylbenzoic acid?
The InChIKey is NGGUIJPRBLBIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.Cu/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+2.
What are the key properties of copper 4-tert-butylbenzoic acid?
copper 4-tert-butylbenzoic acid has a molecular weight of 241.78 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper 4-tert-butylbenzoic acid is sourced from PubChem (CID 54604773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).