2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate

C29H40O6 — CID 23024578

IUPAC2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
SMILESCC(COC(=O)c1ccccc1C(C)C)OCC(C)OCC(C)OC(=O)c1ccccc1C(C)C
InChIInChI=1S/C29H40O6/c1-19(2)24-12-8-10-14-26(24)28(30)34-17-22(6)32-16-21(5)33-18-23(7)35-29(31)27-15-11-9-13-25(27)20(3)4/h8-15,19-23H,16-18H2,1-7H3
InChIKeyMRYSRBOCXVSPAC-UHFFFAOYSA-N
MW484.63 g/mol
LogP6.15
Rot. Bonds13

About 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate

2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate (PubChem CID 23024578) has the molecular formula C29H40O6 and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate.

Molecular Properties

Compound Name2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
PubChem CID23024578
Molecular FormulaC29H40O6
Molecular Weight484.63 g/mol
Exact Mass484.28
IUPAC Name2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
SMILESCC(COC(=O)c1ccccc1C(C)C)OCC(C)OCC(C)OC(=O)c1ccccc1C(C)C
InChIInChI=1S/C29H40O6/c1-19(2)24-12-8-10-14-26(24)28(30)34-17-22(6)32-16-21(5)33-18-23(7)35-29(31)27-15-11-9-13-25(27)20(3)4/h8-15,19-23H,16-18H2,1-7H3
InChIKeyMRYSRBOCXVSPAC-UHFFFAOYSA-N
XLogP6.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate
CID 121375652
2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
CID 23024581
2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate
CID 23024590
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate
CID 171485491
2-(2-acetyloxypropoxycarbonyl)benzoic acid
CID 139316489
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
CID 69119506
2-O-(1-benzoyloxypropan-2-yl) 1-O-[2-[6-(2-benzoyloxypropoxy)-6-oxohexanoyl]oxypropyl] benzene-1,2-dicarboxylate
CID 167287860
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate?
The IUPAC name of 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate (CID 23024578) is 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate.
What is the SMILES notation for 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate?
The canonical SMILES for 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate is CC(COC(=O)c1ccccc1C(C)C)OCC(C)OCC(C)OC(=O)c1ccccc1C(C)C.
What is the InChIKey of 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate?
The InChIKey is MRYSRBOCXVSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O6/c1-19(2)24-12-8-10-14-26(24)28(30)34-17-22(6)32-16-21(5)33-18-23(7)35-29(31)27-15-11-9-13-25(27)20(3)4/h8-15,19-23H,16-18H2,1-7H3.
What are the key properties of 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate?
2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate has a molecular weight of 484.63 g/mol, XLogP of 6.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate is sourced from PubChem (CID 23024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).