[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate

C22H32O15 — CID 153467290

IUPAC[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate
SMILESCC(C=O)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)OCCCOC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C22H32O15/c1-11(10-23)33-19(27)14(4)35-20(28)15(5)36-21(29)16(6)37-22(30)32-9-7-8-31-18(26)13(3)34-17(25)12(2)24/h10-16,24H,7-9H2,1-6H3
InChIKeyJAVGZXDWQZGQAY-UHFFFAOYSA-N
MW536.48 g/mol
LogP-0.23
Rot. Bonds15

About [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate

[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate (PubChem CID 153467290) has the molecular formula C22H32O15 and a molecular weight of 536.48 g/mol. Its IUPAC name is [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate
PubChem CID153467290
Molecular FormulaC22H32O15
Molecular Weight536.48 g/mol
Exact Mass536.17
IUPAC Name[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate
SMILESCC(C=O)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)OCCCOC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C22H32O15/c1-11(10-23)33-19(27)14(4)35-20(28)15(5)36-21(29)16(6)37-22(30)32-9-7-8-31-18(26)13(3)34-17(25)12(2)24/h10-16,24H,7-9H2,1-6H3
InChIKeyJAVGZXDWQZGQAY-UHFFFAOYSA-N
XLogP-0.23
TPSA204.33 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.48
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 139213145
(1-octadec-9-enoxy-1-oxopropan-2-yl) 2-hydroxypropanoate
CID 90964369
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
CID 146437962
methyl (2S)-2-[3-[2-(2-hydroxypropanoyloxy)propanoyloxy]propyl]pent-4-enoate
CID 59538270
2-[2-(2-hydroxypropanoyloxy)propanoyloxy]ethyl 2-methylprop-2-enoate
CID 59305982
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306
3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
CID 118860519
4-(2-ethoxycarbonyloxypropanoyloxy)butanoic acid
CID 169311809
[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 89398553
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate?
The IUPAC name of [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate (CID 153467290) is [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate.
What is the SMILES notation for [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate?
The canonical SMILES for [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate is CC(C=O)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)OCCCOC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate?
The InChIKey is JAVGZXDWQZGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O15/c1-11(10-23)33-19(27)14(4)35-20(28)15(5)36-21(29)16(6)37-22(30)32-9-7-8-31-18(26)13(3)34-17(25)12(2)24/h10-16,24H,7-9H2,1-6H3.
What are the key properties of [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate?
[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate has a molecular weight of 536.48 g/mol, XLogP of -0.23, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate is sourced from PubChem (CID 153467290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).