acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate

C18H24O5 — CID 143799381

IUPACacetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESC#C.CC(OC(C)(C)C)C(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C16H22O5.C2H2/c1-12(21-16(2,3)4)15(18)20-11-14(17)19-10-13-8-6-5-7-9-13;1-2/h5-9,12H,10-11H2,1-4H3;1-2H
InChIKeyHVAZRFUPVJOGLI-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.73
Rot. Bonds6

About acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate

acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 143799381) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nameacetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID143799381
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Nameacetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESC#C.CC(OC(C)(C)C)C(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C16H22O5.C2H2/c1-12(21-16(2,3)4)15(18)20-11-14(17)19-10-13-8-6-5-7-9-13;1-2/h5-9,12H,10-11H2,1-4H3;1-2H
InChIKeyHVAZRFUPVJOGLI-UHFFFAOYSA-N
XLogP2.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
CID 142213101
(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 134410908
[2-[2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
CID 142213102
[2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-(2-phenylmethoxyacetyl)oxypropanoate
CID 142213099
benzyl 3,3,4-trimethylpentanoate
CID 162413973
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 3-hydroxybutanoate
CID 562226
benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
benzyl (3R)-3-hydroxy-4,4-dimethylpentanoate
CID 11207095
benzyl 2-dimethylphosphoryloxyacetate
CID 59427280
benzyl 4-amino-3-methylpentanoate
CID 174893438

Frequently Asked Questions

What is the IUPAC name of acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate (CID 143799381) is acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate is C#C.CC(OC(C)(C)C)C(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is HVAZRFUPVJOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5.C2H2/c1-12(21-16(2,3)4)15(18)20-11-14(17)19-10-13-8-6-5-7-9-13;1-2/h5-9,12H,10-11H2,1-4H3;1-2H.
What are the key properties of acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate?
acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 320.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 143799381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).