4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid

C20H20O2 — CID 139984859

IUPAC4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
SMILESC=CCc1cc(CC=C)c2cc(C(=O)O)cc(CC=C)c2c1
InChIInChI=1S/C20H20O2/c1-4-7-14-10-15(8-5-2)19-13-17(20(21)22)12-16(9-6-3)18(19)11-14/h4-6,10-13H,1-3,7-9H2,(H,21,22)
InChIKeyWDNQGCIMBCQFEQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.72
Rot. Bonds7

About 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid

4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid (PubChem CID 139984859) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
PubChem CID139984859
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
SMILESC=CCc1cc(CC=C)c2cc(C(=O)O)cc(CC=C)c2c1
InChIInChI=1S/C20H20O2/c1-4-7-14-10-15(8-5-2)19-13-17(20(21)22)12-16(9-6-3)18(19)11-14/h4-6,10-13H,1-3,7-9H2,(H,21,22)
InChIKeyWDNQGCIMBCQFEQ-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 22022689
3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
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
3,7-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984857
3-[2-(3-carboxy-5-prop-2-enylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-prop-2-enylbenzoic acid
CID 139984810
8-prop-2-enylnaphthalene-1,6-dicarboxylic acid
CID 139984792
3,5-bis(prop-2-enoxy)benzoic acid
CID 3313564
3-nitro-4-prop-2-enylbenzoic acid
CID 118878034
3,5-difluoro-4-prop-2-enylbenzoic acid
CID 13075320

Frequently Asked Questions

What is the IUPAC name of 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid?
The IUPAC name of 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid (CID 139984859) is 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid is C=CCc1cc(CC=C)c2cc(C(=O)O)cc(CC=C)c2c1.
What is the InChIKey of 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid?
The InChIKey is WDNQGCIMBCQFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-4-7-14-10-15(8-5-2)19-13-17(20(21)22)12-16(9-6-3)18(19)11-14/h4-6,10-13H,1-3,7-9H2,(H,21,22).
What are the key properties of 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid?
4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 139984859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).