naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid

C24H16O8 — CID 160598160

IUPACnaphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12.c1ccc2ccccc2c1
InChIInChI=1S/C14H8O8.C10H8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20;1-2-6-10-8-4-3-7-9(10)5-1/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-8H
InChIKeyRDXKAAWSWSBUBX-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.47
Rot. Bonds4

About naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid

naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid (PubChem CID 160598160) has the molecular formula C24H16O8 and a molecular weight of 432.38 g/mol. Its IUPAC name is naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid.

Molecular Properties

Compound Namenaphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
PubChem CID160598160
Molecular FormulaC24H16O8
Molecular Weight432.38 g/mol
Exact Mass432.08
IUPAC Namenaphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12.c1ccc2ccccc2c1
InChIInChI=1S/C14H8O8.C10H8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20;1-2-6-10-8-4-3-7-9(10)5-1/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-8H
InChIKeyRDXKAAWSWSBUBX-UHFFFAOYSA-N
XLogP4.47
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid?
The IUPAC name of naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid (CID 160598160) is naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid.
What is the SMILES notation for naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid?
The canonical SMILES for naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid is O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid?
The InChIKey is RDXKAAWSWSBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O8.C10H8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20;1-2-6-10-8-4-3-7-9(10)5-1/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-8H.
What are the key properties of naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid?
naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid has a molecular weight of 432.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid is sourced from PubChem (CID 160598160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).