6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid

C66H110O32 — CID 88979296

IUPAC6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid
SMILESC=C(C)C(=O)OCCOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)O
InChIInChI=1S/C66H110O32/c1-55(2)66(78)80-54-53-79-43-23-4-14-34-57(69)90-82-45-25-6-16-36-59(71)92-84-47-27-8-18-38-61(73)94-86-49-29-10-20-40-63(75)96-88-51-31-12-22-42-65(77)98-89-52-32-11-21-41-64(76)97-87-50-30-9-19-39-62(74)95-85-48-28-7-17-37-60(72)93-83-46-26-5-15-35-58(70)91-81-44-24-3-13-33-56(67)68/h1,3-54H2,2H3,(H,67,68)
InChIKeyKEUIXAFIIAKFEV-UHFFFAOYSA-N
MW1415.57 g/mol
LogP11.08
Rot. Bonds73

About 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid

6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid (PubChem CID 88979296) has the molecular formula C66H110O32 and a molecular weight of 1415.57 g/mol. Its IUPAC name is 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid.

Molecular Properties

Compound Name6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid
PubChem CID88979296
Molecular FormulaC66H110O32
Molecular Weight1415.57 g/mol
Exact Mass1414.70
IUPAC Name6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid
SMILESC=C(C)C(=O)OCCOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)O
InChIInChI=1S/C66H110O32/c1-55(2)66(78)80-54-53-79-43-23-4-14-34-57(69)90-82-45-25-6-16-36-59(71)92-84-47-27-8-18-38-61(73)94-86-49-29-10-20-40-63(75)96-88-51-31-12-22-42-65(77)98-89-52-32-11-21-41-64(76)97-87-50-30-9-19-39-62(74)95-85-48-28-7-17-37-60(72)93-83-46-26-5-15-35-58(70)91-81-44-24-3-13-33-56(67)68/h1,3-54H2,2H3,(H,67,68)
InChIKeyKEUIXAFIIAKFEV-UHFFFAOYSA-N
XLogP11.08
TPSA392.60 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds73
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.57
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid with MolForge

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Related Compounds

6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
9-(2-methylprop-2-enoyloxy)nonanoic acid
CID 58887171
14-(2-methylprop-2-enoyloxy)tetradecanoic acid
CID 139687613
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
8-butylperoxy-8-oxooctanoic acid
CID 87528775
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl 2-methylprop-2-enoate
CID 87263491

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid?
The IUPAC name of 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid (CID 88979296) is 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid.
What is the SMILES notation for 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid?
The canonical SMILES for 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid is C=C(C)C(=O)OCCOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)OOCCCCCC(=O)O.
What is the InChIKey of 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid?
The InChIKey is KEUIXAFIIAKFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H110O32/c1-55(2)66(78)80-54-53-79-43-23-4-14-34-57(69)90-82-45-25-6-16-36-59(71)92-84-47-27-8-18-38-61(73)94-86-49-29-10-20-40-63(75)96-88-51-31-12-22-42-65(77)98-89-52-32-11-21-41-64(76)97-87-50-30-9-19-39-62(74)95-85-48-28-7-17-37-60(72)93-83-46-26-5-15-35-58(70)91-81-44-24-3-13-33-56(67)68/h1,3-54H2,2H3,(H,67,68).
What are the key properties of 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid?
6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid has a molecular weight of 1415.57 g/mol, XLogP of 11.08, 73 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid is sourced from PubChem (CID 88979296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).