terephthalate;bis(triethylazanium)

C20H36N2O4 — CID 70273436

IUPACterephthalate;bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=C([O-])c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C8H6O4.2C6H15N/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-4-7(5-2)6-3/h1-4H,(H,9,10)(H,11,12);2*4-6H2,1-3H3
InChIKeyBIZVUECJOCNKDY-UHFFFAOYSA-N
MW368.52 g/mol
LogP-1.72
Rot. Bonds8

About terephthalate;bis(triethylazanium)

terephthalate;bis(triethylazanium) (PubChem CID 70273436) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is terephthalate;bis(triethylazanium).

Molecular Properties

Compound Nameterephthalate;bis(triethylazanium)
PubChem CID70273436
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nameterephthalate;bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=C([O-])c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C8H6O4.2C6H15N/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-4-7(5-2)6-3/h1-4H,(H,9,10)(H,11,12);2*4-6H2,1-3H3
InChIKeyBIZVUECJOCNKDY-UHFFFAOYSA-N
XLogP-1.72
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of terephthalate;bis(triethylazanium)?
The IUPAC name of terephthalate;bis(triethylazanium) (CID 70273436) is terephthalate;bis(triethylazanium).
What is the SMILES notation for terephthalate;bis(triethylazanium)?
The canonical SMILES for terephthalate;bis(triethylazanium) is CC[NH+](CC)CC.CC[NH+](CC)CC.O=C([O-])c1ccc(C(=O)[O-])cc1.
What is the InChIKey of terephthalate;bis(triethylazanium)?
The InChIKey is BIZVUECJOCNKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C6H15N/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-4-7(5-2)6-3/h1-4H,(H,9,10)(H,11,12);2*4-6H2,1-3H3.
What are the key properties of terephthalate;bis(triethylazanium)?
terephthalate;bis(triethylazanium) has a molecular weight of 368.52 g/mol, XLogP of -1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for terephthalate;bis(triethylazanium) is sourced from PubChem (CID 70273436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).