8-prop-2-enylnaphthalene-1,6-dicarboxylic acid

C15H12O4 — CID 139984792

IUPAC8-prop-2-enylnaphthalene-1,6-dicarboxylic acid
SMILESC=CCc1cc(C(=O)O)cc2cccc(C(=O)O)c12
InChIInChI=1S/C15H12O4/c1-2-4-9-7-11(14(16)17)8-10-5-3-6-12(13(9)10)15(18)19/h2-3,5-8H,1,4H2,(H,16,17)(H,18,19)
InChIKeyGGAAQLJNUCKOBN-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.96
Rot. Bonds4

About 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid

8-prop-2-enylnaphthalene-1,6-dicarboxylic acid (PubChem CID 139984792) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid.

Molecular Properties

Compound Name8-prop-2-enylnaphthalene-1,6-dicarboxylic acid
PubChem CID139984792
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name8-prop-2-enylnaphthalene-1,6-dicarboxylic acid
SMILESC=CCc1cc(C(=O)O)cc2cccc(C(=O)O)c12
InChIInChI=1S/C15H12O4/c1-2-4-9-7-11(14(16)17)8-10-5-3-6-12(13(9)10)15(18)19/h2-3,5-8H,1,4H2,(H,16,17)(H,18,19)
InChIKeyGGAAQLJNUCKOBN-UHFFFAOYSA-N
XLogP2.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-prop-2-enylnaphthalene-1,6-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

3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
2-prop-2-enylbenzoic acid
CID 2752991
3,5-bis(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984848
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
CID 139984782
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
4,5-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984847
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
2-(3-hydroxy-4-prop-2-enylbenzoyl)benzoic acid
CID 67766519
4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984859
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760

Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid?
The IUPAC name of 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid (CID 139984792) is 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid.
What is the SMILES notation for 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid?
The canonical SMILES for 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid is C=CCc1cc(C(=O)O)cc2cccc(C(=O)O)c12.
What is the InChIKey of 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid?
The InChIKey is GGAAQLJNUCKOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-2-4-9-7-11(14(16)17)8-10-5-3-6-12(13(9)10)15(18)19/h2-3,5-8H,1,4H2,(H,16,17)(H,18,19).
What are the key properties of 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid?
8-prop-2-enylnaphthalene-1,6-dicarboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylnaphthalene-1,6-dicarboxylic acid is sourced from PubChem (CID 139984792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).