ethene;naphthalene-2,6-dicarboxylic acid

C14H12O4 — CID 66988682

IUPACethene;naphthalene-2,6-dicarboxylic acid
SMILESC=C.O=C(O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C12H8O4.C2H4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;1-2/h1-6H,(H,13,14)(H,15,16);1-2H2
InChIKeyZEVGSIWIBCTPJN-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.04
Rot. Bonds2

About ethene;naphthalene-2,6-dicarboxylic acid

ethene;naphthalene-2,6-dicarboxylic acid (PubChem CID 66988682) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethene;naphthalene-2,6-dicarboxylic acid.

Molecular Properties

Compound Nameethene;naphthalene-2,6-dicarboxylic acid
PubChem CID66988682
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Nameethene;naphthalene-2,6-dicarboxylic acid
SMILESC=C.O=C(O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C12H8O4.C2H4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;1-2/h1-6H,(H,13,14)(H,15,16);1-2H2
InChIKeyZEVGSIWIBCTPJN-UHFFFAOYSA-N
XLogP3.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;naphthalene-2,6-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
hexacene-2-carboxylic acid
CID 87430666
actinium;6-hydroxynaphthalene-2-carboxylic acid
CID 59891781

Frequently Asked Questions

What is the IUPAC name of ethene;naphthalene-2,6-dicarboxylic acid?
The IUPAC name of ethene;naphthalene-2,6-dicarboxylic acid (CID 66988682) is ethene;naphthalene-2,6-dicarboxylic acid.
What is the SMILES notation for ethene;naphthalene-2,6-dicarboxylic acid?
The canonical SMILES for ethene;naphthalene-2,6-dicarboxylic acid is C=C.O=C(O)c1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of ethene;naphthalene-2,6-dicarboxylic acid?
The InChIKey is ZEVGSIWIBCTPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.C2H4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;1-2/h1-6H,(H,13,14)(H,15,16);1-2H2.
What are the key properties of ethene;naphthalene-2,6-dicarboxylic acid?
ethene;naphthalene-2,6-dicarboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;naphthalene-2,6-dicarboxylic acid is sourced from PubChem (CID 66988682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).