2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate

C26H34O7 — CID 22461914

IUPAC2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
SMILESCC(COC(=O)c1ccccc1)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1
InChIInChI=1S/C26H34O7/c1-19(15-30-21(3)17-32-25(27)23-11-7-5-8-12-23)29-16-20(2)31-18-22(4)33-26(28)24-13-9-6-10-14-24/h5-14,19-22H,15-18H2,1-4H3
InChIKeyLPLGQXDUAQNAEH-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.30
Rot. Bonds14

About 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate

2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate (PubChem CID 22461914) has the molecular formula C26H34O7 and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate.

Molecular Properties

Compound Name2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
PubChem CID22461914
Molecular FormulaC26H34O7
Molecular Weight458.55 g/mol
Exact Mass458.23
IUPAC Name2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
SMILESCC(COC(=O)c1ccccc1)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1
InChIInChI=1S/C26H34O7/c1-19(15-30-21(3)17-32-25(27)23-11-7-5-8-12-23)29-16-20(2)31-18-22(4)33-26(28)24-13-9-6-10-14-24/h5-14,19-22H,15-18H2,1-4H3
InChIKeyLPLGQXDUAQNAEH-UHFFFAOYSA-N
XLogP4.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
1-(2-methylpropanoyloxy)propan-2-yl benzoate
CID 142753435
2-[2-[(E)-2-ethenylbut-2-enoyl]oxypropoxy]propyl benzoate
CID 89362180
6-O-(1-benzoyloxypropan-2-yl) 1-O-(2-benzoyloxypropyl) hexanedioate
CID 118243756
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzoate
CID 101417718
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
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
1-phenoxypropan-2-yl benzoate
CID 59854364
6-(2-benzoyloxypropoxy)-6-oxohexanoic acid
CID 118209037

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate?
The IUPAC name of 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate (CID 22461914) is 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate.
What is the SMILES notation for 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate?
The canonical SMILES for 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate is CC(COC(=O)c1ccccc1)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1.
What is the InChIKey of 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate?
The InChIKey is LPLGQXDUAQNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O7/c1-19(15-30-21(3)17-32-25(27)23-11-7-5-8-12-23)29-16-20(2)31-18-22(4)33-26(28)24-13-9-6-10-14-24/h5-14,19-22H,15-18H2,1-4H3.
What are the key properties of 2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate?
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate has a molecular weight of 458.55 g/mol, XLogP of 4.30, 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-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate is sourced from PubChem (CID 22461914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).