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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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).