2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate

C29H24O7 — CID 67965026

IUPAC2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
SMILESCCOC(=O)c1ccc2cc(C(=O)OCCOC(=O)c3ccc4cc(C(C)=O)ccc4c3)ccc2c1
InChIInChI=1S/C29H24O7/c1-3-34-27(31)24-9-7-23-17-26(11-8-22(23)15-24)29(33)36-13-12-35-28(32)25-10-6-20-14-19(18(2)30)4-5-21(20)16-25/h4-11,14-17H,3,12-13H2,1-2H3
InChIKeyBFELYZXSDHGTMA-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.39
Rot. Bonds8

About 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate

2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate (PubChem CID 67965026) has the molecular formula C29H24O7 and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
PubChem CID67965026
Molecular FormulaC29H24O7
Molecular Weight484.50 g/mol
Exact Mass484.15
IUPAC Name2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
SMILESCCOC(=O)c1ccc2cc(C(=O)OCCOC(=O)c3ccc4cc(C(C)=O)ccc4c3)ccc2c1
InChIInChI=1S/C29H24O7/c1-3-34-27(31)24-9-7-23-17-26(11-8-22(23)15-24)29(33)36-13-12-35-28(32)25-10-6-20-14-19(18(2)30)4-5-21(20)16-25/h4-11,14-17H,3,12-13H2,1-2H3
InChIKeyBFELYZXSDHGTMA-UHFFFAOYSA-N
XLogP5.39
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 3-acetylbenzoate
CID 11298463
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
6-O-propyl 2-O-(2-sulfanylethyl) naphthalene-2,6-dicarboxylate
CID 161312884
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
propyl 3-acetylbenzoate
CID 153251461
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate
CID 58800513
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487

Frequently Asked Questions

What is the IUPAC name of 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate?
The IUPAC name of 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate (CID 67965026) is 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate.
What is the SMILES notation for 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate?
The canonical SMILES for 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate is CCOC(=O)c1ccc2cc(C(=O)OCCOC(=O)c3ccc4cc(C(C)=O)ccc4c3)ccc2c1.
What is the InChIKey of 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate?
The InChIKey is BFELYZXSDHGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O7/c1-3-34-27(31)24-9-7-23-17-26(11-8-22(23)15-24)29(33)36-13-12-35-28(32)25-10-6-20-14-19(18(2)30)4-5-21(20)16-25/h4-11,14-17H,3,12-13H2,1-2H3.
What are the key properties of 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate?
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate has a molecular weight of 484.50 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate is sourced from PubChem (CID 67965026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).