2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane

C103H158O33 — CID 160576406

IUPAC2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane
SMILESC.C.C.C.C.C.C.C.CC(=O)OC(C)COCC(=O)OC(C)COCC(=O)OC(C)COCCCOCC(C)OC(=O)c1ccccc1C(=O)c1ccccc1.CC(=O)OCCOC(C)COCCOC(=O)c1ccccc1C(=O)c1ccccc1.CCC(C)C.COCC(=O)OCCCCOC(=O)COC.COCC(=O)OCCCCOC(=O)COc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C35H46O13.C23H26O7.C22H24O7.C10H18O6.C5H12.8CH4/c1-24(45-28(5)36)20-43-22-33(38)47-26(3)21-44-23-32(37)46-25(2)18-41-16-11-17-42-19-27(4)48-35(40)31-15-10-9-14-30(31)34(39)29-12-7-6-8-13-29;1-17(28-14-15-29-18(2)24)16-27-12-13-30-23(26)21-11-7-6-10-20(21)22(25)19-8-4-3-5-9-19;1-26-15-20(23)27-12-5-6-13-28-21(24)16-29-19-11-7-10-18(14-19)22(25)17-8-3-2-4-9-17;1-13-7-9(11)15-5-3-4-6-16-10(12)8-14-2;1-4-5(2)3;;;;;;;;/h6-10,12-15,24-27H,11,16-23H2,1-5H3;3-11,17H,12-16H2,1-2H3;2-4,7-11,14H,5-6,12-13,15-16H2,1H3;3-8H2,1-2H3;5H,4H2,1-3H3;8*1H4
InChIKeyRBFBFDRTOODBMJ-UHFFFAOYSA-N
MW1924.36 g/mol
LogP16.89
Rot. Bonds57

About 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane

2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane (PubChem CID 160576406) has the molecular formula C103H158O33 and a molecular weight of 1924.36 g/mol. Its IUPAC name is 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane.

Molecular Properties

Compound Name2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane
PubChem CID160576406
Molecular FormulaC103H158O33
Molecular Weight1924.36 g/mol
Exact Mass1923.07
IUPAC Name2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane
SMILESC.C.C.C.C.C.C.C.CC(=O)OC(C)COCC(=O)OC(C)COCC(=O)OC(C)COCCCOCC(C)OC(=O)c1ccccc1C(=O)c1ccccc1.CC(=O)OCCOC(C)COCCOC(=O)c1ccccc1C(=O)c1ccccc1.CCC(C)C.COCC(=O)OCCCCOC(=O)COC.COCC(=O)OCCCCOC(=O)COc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C35H46O13.C23H26O7.C22H24O7.C10H18O6.C5H12.8CH4/c1-24(45-28(5)36)20-43-22-33(38)47-26(3)21-44-23-32(37)46-25(2)18-41-16-11-17-42-19-27(4)48-35(40)31-15-10-9-14-30(31)34(39)29-12-7-6-8-13-29;1-17(28-14-15-29-18(2)24)16-27-12-13-30-23(26)21-11-7-6-10-20(21)22(25)19-8-4-3-5-9-19;1-26-15-20(23)27-12-5-6-13-28-21(24)16-29-19-11-7-10-18(14-19)22(25)17-8-3-2-4-9-17;1-13-7-9(11)15-5-3-4-6-16-10(12)8-14-2;1-4-5(2)3;;;;;;;;/h6-10,12-15,24-27H,11,16-23H2,1-5H3;3-11,17H,12-16H2,1-2H3;2-4,7-11,14H,5-6,12-13,15-16H2,1H3;3-8H2,1-2H3;5H,4H2,1-3H3;8*1H4
InChIKeyRBFBFDRTOODBMJ-UHFFFAOYSA-N
XLogP16.89
TPSA406.51 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds57
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.36
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane with MolForge

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Related Compounds

6-(3-methoxypropanoyloxy)hexyl 2-benzoylbenzoate
CID 155076175
3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid
CID 63073446
2-[2-[2-[2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetyl]oxyethoxy]-2-oxoethoxy]ethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 124834995
4-O-[2-[6-(2-acetyloxyethoxy)-6-oxohexanoyl]oxyethyl] 1-O-(2-acetyloxyethyl) benzene-1,4-dicarboxylate;4-O-(1-acetyloxypropan-2-yl) 1-O-[2-[4-(2-acetyloxypropoxy)-4-oxobutanoyl]oxypropyl] benzene-1,4-dicarboxylate;2-O-(1-benzoyloxypropan-2-yl) 1-O-(2-benzoyloxypropyl) benzene-1,2-dicarboxylate;2-O-(1-hydroxypropan-2-yl) 1-O-[2-[6-(2-hydroxypropoxy)-6-oxohexanoyl]oxypropyl] benzene-1,2-dicarboxylate;2-O-[2-[6-(2-hydroxypropoxycarbonyl)naphthalene-2-carbonyl]oxypropyl] 6-O-(2-hydroxypropyl) naphthalene-2,6-dicarboxylate;4-O-[1-(4-methylbenzoyl)oxypropan-2-yl] 1-O-[2-(4-methylbenzoyl)oxypropyl] benzene-1,4-dicarboxylate
CID 159921557
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-benzoylbenzoate
CID 158797658
2-O-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl] 1-O-pentyl benzene-1,2-dicarboxylate
CID 91719693
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
2-O-(1-benzoyloxypropan-2-yl) 1-O-[2-[6-(2-benzoyloxypropoxy)-6-oxohexanoyl]oxypropyl] benzene-1,2-dicarboxylate
CID 167287860
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-(2-acetyloxypropoxycarbonyl)benzoic acid
CID 139316489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane?
The IUPAC name of 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane (CID 160576406) is 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane.
What is the SMILES notation for 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane?
The canonical SMILES for 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane is C.C.C.C.C.C.C.C.CC(=O)OC(C)COCC(=O)OC(C)COCC(=O)OC(C)COCCCOCC(C)OC(=O)c1ccccc1C(=O)c1ccccc1.CC(=O)OCCOC(C)COCCOC(=O)c1ccccc1C(=O)c1ccccc1.CCC(C)C.COCC(=O)OCCCCOC(=O)COC.COCC(=O)OCCCCOC(=O)COc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane?
The InChIKey is RBFBFDRTOODBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46O13.C23H26O7.C22H24O7.C10H18O6.C5H12.8CH4/c1-24(45-28(5)36)20-43-22-33(38)47-26(3)21-44-23-32(37)46-25(2)18-41-16-11-17-42-19-27(4)48-35(40)31-15-10-9-14-30(31)34(39)29-12-7-6-8-13-29;1-17(28-14-15-29-18(2)24)16-27-12-13-30-23(26)21-11-7-6-10-20(21)22(25)19-8-4-3-5-9-19;1-26-15-20(23)27-12-5-6-13-28-21(24)16-29-19-11-7-10-18(14-19)22(25)17-8-3-2-4-9-17;1-13-7-9(11)15-5-3-4-6-16-10(12)8-14-2;1-4-5(2)3;;;;;;;;/h6-10,12-15,24-27H,11,16-23H2,1-5H3;3-11,17H,12-16H2,1-2H3;2-4,7-11,14H,5-6,12-13,15-16H2,1H3;3-8H2,1-2H3;5H,4H2,1-3H3;8*1H4.
What are the key properties of 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane?
2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane has a molecular weight of 1924.36 g/mol, XLogP of 16.89, 57 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetyloxyethoxy)propoxy]ethyl 2-benzoylbenzoate;1-[3-[2-[2-[2-[2-(2-acetyloxypropoxy)acetyl]oxypropoxy]acetyl]oxypropoxy]propoxy]propan-2-yl 2-benzoylbenzoate;4-[2-(3-benzoylphenoxy)acetyl]oxybutyl 2-methoxyacetate;methane;4-(2-methoxyacetyl)oxybutyl 2-methoxyacetate;2-methylbutane is sourced from PubChem (CID 160576406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).