[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate

C18H24O7 — CID 142213101

IUPAC[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
SMILESCC(OCc1ccccc1)C(=O)OCC(=O)OCC(=O)OC(C)(C)C
InChIInChI=1S/C18H24O7/c1-13(22-10-14-8-6-5-7-9-14)17(21)24-11-15(19)23-12-16(20)25-18(2,3)4/h5-9,13H,10-12H2,1-4H3
InChIKeyZAWNZFXIISFZEB-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.02
Rot. Bonds8

About [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate

[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate (PubChem CID 142213101) has the molecular formula C18H24O7 and a molecular weight of 352.38 g/mol. Its IUPAC name is [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate.

Molecular Properties

Compound Name[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
PubChem CID142213101
Molecular FormulaC18H24O7
Molecular Weight352.38 g/mol
Exact Mass352.15
IUPAC Name[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
SMILESCC(OCc1ccccc1)C(=O)OCC(=O)OCC(=O)OC(C)(C)C
InChIInChI=1S/C18H24O7/c1-13(22-10-14-8-6-5-7-9-14)17(21)24-11-15(19)23-12-16(20)25-18(2,3)4/h5-9,13H,10-12H2,1-4H3
InChIKeyZAWNZFXIISFZEB-UHFFFAOYSA-N
XLogP2.02
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate?
The IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate (CID 142213101) is [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate.
What is the SMILES notation for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate?
The canonical SMILES for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate is CC(OCc1ccccc1)C(=O)OCC(=O)OCC(=O)OC(C)(C)C.
What is the InChIKey of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate?
The InChIKey is ZAWNZFXIISFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O7/c1-13(22-10-14-8-6-5-7-9-14)17(21)24-11-15(19)23-12-16(20)25-18(2,3)4/h5-9,13H,10-12H2,1-4H3.
What are the key properties of [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate?
[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate has a molecular weight of 352.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate is sourced from PubChem (CID 142213101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).