2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate

C34H50O7 — CID 23024590

IUPAC2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate
SMILESCC(COC(=O)c1ccccc1C(C)(C)C)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C34H50O7/c1-23(19-38-25(3)21-40-31(35)27-15-11-13-17-29(27)33(5,6)7)37-20-24(2)39-22-26(4)41-32(36)28-16-12-14-18-30(28)34(8,9)10/h11-18,23-26H,19-22H2,1-10H3
InChIKeyUKTYOEJFUCSPGR-UHFFFAOYSA-N
MW570.77 g/mol
LogP6.90
Rot. Bonds14

About 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate

2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate (PubChem CID 23024590) has the molecular formula C34H50O7 and a molecular weight of 570.77 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate
PubChem CID23024590
Molecular FormulaC34H50O7
Molecular Weight570.77 g/mol
Exact Mass570.36
IUPAC Name2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate
SMILESCC(COC(=O)c1ccccc1C(C)(C)C)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C34H50O7/c1-23(19-38-25(3)21-40-31(35)27-15-11-13-17-29(27)33(5,6)7)37-20-24(2)39-22-26(4)41-32(36)28-16-12-14-18-30(28)34(8,9)10/h11-18,23-26H,19-22H2,1-10H3
InChIKeyUKTYOEJFUCSPGR-UHFFFAOYSA-N
XLogP6.90
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.77
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
CID 23024578
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-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
2-O-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl] 1-O-pentyl benzene-1,2-dicarboxylate
CID 91719693
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
2-[2-(2,5-dicarboxybenzoyl)oxypropoxycarbonyl]terephthalic acid
CID 123861760
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate?
The IUPAC name of 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate (CID 23024590) is 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate.
What is the SMILES notation for 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate?
The canonical SMILES for 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate is CC(COC(=O)c1ccccc1C(C)(C)C)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate?
The InChIKey is UKTYOEJFUCSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O7/c1-23(19-38-25(3)21-40-31(35)27-15-11-13-17-29(27)33(5,6)7)37-20-24(2)39-22-26(4)41-32(36)28-16-12-14-18-30(28)34(8,9)10/h11-18,23-26H,19-22H2,1-10H3.
What are the key properties of 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate?
2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate has a molecular weight of 570.77 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-tert-butylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-tert-butylbenzoate is sourced from PubChem (CID 23024590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).