ethene;terephthalic acid

C10H10O4 — CID 18755810

IUPACethene;terephthalic acid
SMILESC=C.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C2H4/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1-2H2
InChIKeyJARHXLHLCUCUJP-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.89
Rot. Bonds2

About ethene;terephthalic acid

ethene;terephthalic acid (PubChem CID 18755810) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethene;terephthalic acid.

Molecular Properties

Compound Nameethene;terephthalic acid
PubChem CID18755810
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Nameethene;terephthalic acid
SMILESC=C.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C2H4/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1-2H2
InChIKeyJARHXLHLCUCUJP-UHFFFAOYSA-N
XLogP1.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
benzoic acid;ethene
CID 160765727
bis(4-aminobenzoic acid);ethene
CID 158776608
ethene;prop-1-ene;terephthalic acid
CID 70629697
potassium;terephthalic acid;hydroxide
CID 157415014
oxophosphane;terephthalic acid
CID 175391404
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761

Frequently Asked Questions

What is the IUPAC name of ethene;terephthalic acid?
The IUPAC name of ethene;terephthalic acid (CID 18755810) is ethene;terephthalic acid.
What is the SMILES notation for ethene;terephthalic acid?
The canonical SMILES for ethene;terephthalic acid is C=C.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of ethene;terephthalic acid?
The InChIKey is JARHXLHLCUCUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C2H4/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-2/h1-4H,(H,9,10)(H,11,12);1-2H2.
What are the key properties of ethene;terephthalic acid?
ethene;terephthalic acid has a molecular weight of 194.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;terephthalic acid is sourced from PubChem (CID 18755810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).