2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate

C28H38O7 — CID 121375652

IUPAC2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1C
InChIInChI=1S/C28H38O7/c1-19-11-7-9-13-25(19)27(29)34-17-23(5)32-15-21(3)31-16-22(4)33-18-24(6)35-28(30)26-14-10-8-12-20(26)2/h7-14,21-24H,15-18H2,1-6H3
InChIKeyNYPNFVANRPSGRC-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.92
Rot. Bonds14

About 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate

2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate (PubChem CID 121375652) has the molecular formula C28H38O7 and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate
PubChem CID121375652
Molecular FormulaC28H38O7
Molecular Weight486.61 g/mol
Exact Mass486.26
IUPAC Name2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1C
InChIInChI=1S/C28H38O7/c1-19-11-7-9-13-25(19)27(29)34-17-23(5)32-15-21(3)31-16-22(4)33-18-24(6)35-28(30)26-14-10-8-12-20(26)2/h7-14,21-24H,15-18H2,1-6H3
InChIKeyNYPNFVANRPSGRC-UHFFFAOYSA-N
XLogP4.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.92
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-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
[(2R)-4-methoxy-4-oxobutan-2-yl] 2-methylbenzoate
CID 75506552
1-aminopropyl 2-methylbenzoate
CID 174943529
1,3-dimethoxypropan-2-yl 2-methylbenzoate
CID 141353535
2-(2-acetyloxypropoxycarbonyl)benzoic acid
CID 139316489
[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate
CID 99923145
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate?
The IUPAC name of 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate (CID 121375652) is 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate.
What is the SMILES notation for 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate?
The canonical SMILES for 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate is Cc1ccccc1C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1C.
What is the InChIKey of 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate?
The InChIKey is NYPNFVANRPSGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O7/c1-19-11-7-9-13-25(19)27(29)34-17-23(5)32-15-21(3)31-16-22(4)33-18-24(6)35-28(30)26-14-10-8-12-20(26)2/h7-14,21-24H,15-18H2,1-6H3.
What are the key properties of 2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate?
2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate has a molecular weight of 486.61 g/mol, XLogP of 4.92, 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-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate is sourced from PubChem (CID 121375652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).