1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate

C17H26O5 — CID 23036606

IUPAC1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
SMILESCOCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1
InChIInChI=1S/C17H26O5/c1-13(10-19-4)20-11-14(2)21-12-15(3)22-17(18)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyQYWMOPHGBPIZIA-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.69
Rot. Bonds10

About 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate

1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate (PubChem CID 23036606) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
PubChem CID23036606
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
SMILESCOCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1
InChIInChI=1S/C17H26O5/c1-13(10-19-4)20-11-14(2)21-12-15(3)22-17(18)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyQYWMOPHGBPIZIA-UHFFFAOYSA-N
XLogP2.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
1-(2-methylpropanoyloxy)propan-2-yl benzoate
CID 142753435
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
1-phenoxypropan-2-yl benzoate
CID 59854364
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
1-methoxypropan-2-yl 3-iodobenzoate
CID 71145343
(1-hydroxy-3-methoxypropan-2-yl) benzoate
CID 54162892
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
[(2R)-1-methoxypropan-2-yl] 3-cyanobenzoate
CID 95931923
4,4-dimethoxybutan-2-yl benzoate
CID 10657559
[(2S)-pentan-2-yl] benzoate
CID 101019298

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate?
The IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate (CID 23036606) is 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate?
The canonical SMILES for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate is COCC(C)OCC(C)OCC(C)OC(=O)c1ccccc1.
What is the InChIKey of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate?
The InChIKey is QYWMOPHGBPIZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-13(10-19-4)20-11-14(2)21-12-15(3)22-17(18)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3.
What are the key properties of 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate?
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate has a molecular weight of 310.39 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate is sourced from PubChem (CID 23036606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).