bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid

C18H28N2O6 — CID 70489964

IUPACbis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid
SMILESCC1(C)NCCO1.CC1(C)NCCO1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.2C5H11NO/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-5(2)6-3-4-7-5/h1-4H,(H,9,10)(H,11,12);2*6H,3-4H2,1-2H3
InChIKeyJHDRQCZDVAIYKV-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.77
Rot. Bonds2

About bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid

bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid (PubChem CID 70489964) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid.

Molecular Properties

Compound Namebis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid
PubChem CID70489964
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Namebis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid
SMILESCC1(C)NCCO1.CC1(C)NCCO1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.2C5H11NO/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-5(2)6-3-4-7-5/h1-4H,(H,9,10)(H,11,12);2*6H,3-4H2,1-2H3
InChIKeyJHDRQCZDVAIYKV-UHFFFAOYSA-N
XLogP1.77
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid?
The IUPAC name of bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid (CID 70489964) is bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid.
What is the SMILES notation for bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid?
The canonical SMILES for bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid is CC1(C)NCCO1.CC1(C)NCCO1.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid?
The InChIKey is JHDRQCZDVAIYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C5H11NO/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-5(2)6-3-4-7-5/h1-4H,(H,9,10)(H,11,12);2*6H,3-4H2,1-2H3.
What are the key properties of bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid?
bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid has a molecular weight of 368.43 g/mol, XLogP of 1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid is sourced from PubChem (CID 70489964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).