prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate

C34H32O6 — CID 160520654

About prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate

prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate (PubChem CID 160520654) has the molecular formula C34H32O6 and a molecular weight of 536.62 g/mol. Its IUPAC name is prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
• PubChem CID: 160520654
• Molecular Formula: C34H32O6
• Molecular Weight: 536.62 g/mol
• Exact Mass: 536.22
• IUPAC Name: prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
• SMILES: C=CCOC(=O)c1ccc2c(CC=C)c(O)ccc2c1.C=CCOC(=O)c1ccc2cc(OCC=C)ccc2c1
• InChI: InChI=1S/2C17H16O3/c1-3-9-19-16-8-7-13-11-15(6-5-14(13)12-16)17(18)20-10-4-2;1-3-5-15-14-8-6-13(17(19)20-10-4-2)11-12(14)7-9-16(15)18/h3-8,11-12H,1-2,9-10H2;3-4,6-9,11,18H,1-2,5,10H2
• InChIKey: QUFNVBRPPPIYOU-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.62
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?

The IUPAC name of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate (CID 160520654) is prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate.

What is the SMILES notation for prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?

The canonical SMILES for prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate is C=CCOC(=O)c1ccc2c(CC=C)c(O)ccc2c1.C=CCOC(=O)c1ccc2cc(OCC=C)ccc2c1.

What is the InChIKey of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?

The InChIKey is QUFNVBRPPPIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16O3/c1-3-9-19-16-8-7-13-11-15(6-5-14(13)12-16)17(18)20-10-4-2;1-3-5-15-14-8-6-13(17(19)20-10-4-2)11-12(14)7-9-16(15)18/h3-8,11-12H,1-2,9-10H2;3-4,6-9,11,18H,1-2,5,10H2.

What are the key properties of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate?

prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate has a molecular weight of 536.62 g/mol, XLogP of 7.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate is sourced from PubChem (CID 160520654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).