tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate

C92H96O24 — CID 164966943

IUPACtert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate
SMILESCC(C)(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)(C)C)c2ccccc12.CC(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)C)c2ccccc12.CCOC(=O)COc1c2ccccc2c(OCC(=O)OCC)c2ccccc12.COC(=O)COc1c2ccccc2c(OCC(=O)OC)c2ccccc12
InChIInChI=1S/C26H30O6.C24H26O6.C22H22O6.C20H18O6/c1-25(2,3)31-21(27)15-29-23-17-11-7-9-13-19(17)24(20-14-10-8-12-18(20)23)30-16-22(28)32-26(4,5)6;1-15(2)29-21(25)13-27-23-17-9-5-7-11-19(17)24(20-12-8-6-10-18(20)23)28-14-22(26)30-16(3)4;1-3-25-19(23)13-27-21-15-9-5-7-11-17(15)22(28-14-20(24)26-4-2)18-12-8-6-10-16(18)21;1-23-17(21)11-25-19-13-7-3-5-9-15(13)20(26-12-18(22)24-2)16-10-6-4-8-14(16)19/h7-14H,15-16H2,1-6H3;5-12,15-16H,13-14H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;3-10H,11-12H2,1-2H3
InChIKeyCPLHKXOAWDFWSB-UHFFFAOYSA-N
MW1585.76 g/mol
LogP17.06
Rot. Bonds28

About tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate

tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate (PubChem CID 164966943) has the molecular formula C92H96O24 and a molecular weight of 1585.76 g/mol. Its IUPAC name is tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate
PubChem CID164966943
Molecular FormulaC92H96O24
Molecular Weight1585.76 g/mol
Exact Mass1584.63
IUPAC Nametert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate
SMILESCC(C)(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)(C)C)c2ccccc12.CC(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)C)c2ccccc12.CCOC(=O)COc1c2ccccc2c(OCC(=O)OCC)c2ccccc12.COC(=O)COc1c2ccccc2c(OCC(=O)OC)c2ccccc12
InChIInChI=1S/C26H30O6.C24H26O6.C22H22O6.C20H18O6/c1-25(2,3)31-21(27)15-29-23-17-11-7-9-13-19(17)24(20-14-10-8-12-18(20)23)30-16-22(28)32-26(4,5)6;1-15(2)29-21(25)13-27-23-17-9-5-7-11-19(17)24(20-12-8-6-10-18(20)23)28-14-22(26)30-16(3)4;1-3-25-19(23)13-27-21-15-9-5-7-11-17(15)22(28-14-20(24)26-4-2)18-12-8-6-10-16(18)21;1-23-17(21)11-25-19-13-7-3-5-9-15(13)20(26-12-18(22)24-2)16-10-6-4-8-14(16)19/h7-14H,15-16H2,1-6H3;5-12,15-16H,13-14H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;3-10H,11-12H2,1-2H3
InChIKeyCPLHKXOAWDFWSB-UHFFFAOYSA-N
XLogP17.06
TPSA284.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.76
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[11,23-ditert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]acetate
CID 101128417
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
3,6,6-trimethylheptyl 2-[10-[2-(2-methylbutan-2-yloxy)-2-oxoethoxy]anthracen-9-yl]oxyacetate
CID 146507364
methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 139606932
ethyl 2-[2-[1-(methylamino)ethyl]naphthalen-1-yl]oxyacetate
CID 60889401
propan-2-yl 2-phenoxyacetate
CID 11367560
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
4-O-tert-butyl 1-O-methyl 2-methoxybutanedioate;3,5-dimethoxy-5-oxopentanoic acid;dimethyl 3-methoxypentanedioate;4-O-ethyl 1-O-methyl 2-methoxybutanedioate;1-O-ethyl 5-O-methyl 3-methoxypentanedioate;1-O-methyl 4-O-propan-2-yl 2-methoxybutanedioate;1-O-methyl 5-O-propan-2-yl 3-methoxypentanedioate
CID 158458890
tert-butyl 2-[4-(2-ethoxy-2-oxoethoxy)-3-fluoroanilino]acetate
CID 69220601
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
CID 62019077

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate (CID 164966943) is tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate is CC(C)(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)(C)C)c2ccccc12.CC(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)C)c2ccccc12.CCOC(=O)COc1c2ccccc2c(OCC(=O)OCC)c2ccccc12.COC(=O)COc1c2ccccc2c(OCC(=O)OC)c2ccccc12.
What is the InChIKey of tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate?
The InChIKey is CPLHKXOAWDFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6.C24H26O6.C22H22O6.C20H18O6/c1-25(2,3)31-21(27)15-29-23-17-11-7-9-13-19(17)24(20-14-10-8-12-18(20)23)30-16-22(28)32-26(4,5)6;1-15(2)29-21(25)13-27-23-17-9-5-7-11-19(17)24(20-12-8-6-10-18(20)23)28-14-22(26)30-16(3)4;1-3-25-19(23)13-27-21-15-9-5-7-11-17(15)22(28-14-20(24)26-4-2)18-12-8-6-10-16(18)21;1-23-17(21)11-25-19-13-7-3-5-9-15(13)20(26-12-18(22)24-2)16-10-6-4-8-14(16)19/h7-14H,15-16H2,1-6H3;5-12,15-16H,13-14H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;3-10H,11-12H2,1-2H3.
What are the key properties of tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate?
tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate has a molecular weight of 1585.76 g/mol, XLogP of 17.06, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-9-yl]oxyacetate;ethyl 2-[10-(2-ethoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;methyl 2-[10-(2-methoxy-2-oxoethoxy)anthracen-9-yl]oxyacetate;propan-2-yl 2-[10-(2-oxo-2-propan-2-yloxyethoxy)anthracen-9-yl]oxyacetate is sourced from PubChem (CID 164966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).