[3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate

C64H94O25 — CID 59823963

IUPAC[3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OCC(COCC(COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C
InChIInChI=1S/C64H94O25/c1-7-51(65)78-37-25-13-19-31-57(71)84-45-63(46-85-58(72)32-20-14-26-38-79-52(66)8-2,47-86-59(73)33-21-15-27-39-80-53(67)9-3)43-77-44-64(48-87-60(74)34-22-16-28-40-81-54(68)10-4,49-88-61(75)35-23-17-29-41-82-55(69)11-5)50-89-62(76)36-24-18-30-42-83-56(70)12-6/h7-12H,1-6,13-50H2
InChIKeyVCFFZAQQHCLMNH-UHFFFAOYSA-N
MW1263.43 g/mol
LogP7.97
Rot. Bonds58

About [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate

[3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate (PubChem CID 59823963) has the molecular formula C64H94O25 and a molecular weight of 1263.43 g/mol. Its IUPAC name is [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Name[3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate
PubChem CID59823963
Molecular FormulaC64H94O25
Molecular Weight1263.43 g/mol
Exact Mass1262.61
IUPAC Name[3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCCCC(=O)OCC(COCC(COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C
InChIInChI=1S/C64H94O25/c1-7-51(65)78-37-25-13-19-31-57(71)84-45-63(46-85-58(72)32-20-14-26-38-79-52(66)8-2,47-86-59(73)33-21-15-27-39-80-53(67)9-3)43-77-44-64(48-87-60(74)34-22-16-28-40-81-54(68)10-4,49-88-61(75)35-23-17-29-41-82-55(69)11-5)50-89-62(76)36-24-18-30-42-83-56(70)12-6/h7-12H,1-6,13-50H2
InChIKeyVCFFZAQQHCLMNH-UHFFFAOYSA-N
XLogP7.97
TPSA324.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds58
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.43
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate with MolForge

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Related Compounds

Hydroxypivalyl hydroxypivalate bis[6-(acryloyloxy)hexanoate]
CID 3507014
Oxydi(ethane-2,1-diyl) bis{6-[(prop-2-enoyl)oxy]hexanoate}
CID 58807582
[3-[6-(6-Prop-2-enoyloxyhexanoyloxy)hexanoyloxy]-2-[[3-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]-2,2-bis[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxymethyl]propoxy]methyl]-2-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxymethyl]propyl] 6-(6-prop-2-enoyloxyhexanoyloxy)hexanoate
CID 102105797
[3-Prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 162029551
Bis(2,2-dimethyl-3-prop-2-enoyloxypropyl) hexanedioate
CID 19008511
[3-[2,2-Dimethyl-3-(6-prop-2-enoyloxyhexanoyloxy)propanoyl]oxy-2,2-dimethyl-3-oxopropyl] 6-prop-2-enoyloxyhexanoate
CID 87131387
Bis[3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propyl] hexanedioate
CID 12525173
4-(6-Prop-2-enoyloxyhexanoyloxy)butyl 6-prop-2-enoyloxyhexanoate
CID 23561402
[2-(Acetyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate;bis[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] hexanedioate;[2-(formyloxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 53878983
Bis(2,2-dimethyl-3-prop-2-enoylperoxypropyl) hexanedioate
CID 54071379
[2,2-Bis(2-ethylhexanoyloxymethyl)-3-prop-2-enoyloxypropyl] 2-ethylhexanoate
CID 54269185
Bis(6-prop-2-enoyloxyhexyl) hexanedioate
CID 54553882

Frequently Asked Questions

What is the IUPAC name of [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate?
The IUPAC name of [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate (CID 59823963) is [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate?
The canonical SMILES for [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate is C=CC(=O)OCCCCCC(=O)OCC(COCC(COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C)(COC(=O)CCCCCOC(=O)C=C)COC(=O)CCCCCOC(=O)C=C.
What is the InChIKey of [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate?
The InChIKey is VCFFZAQQHCLMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H94O25/c1-7-51(65)78-37-25-13-19-31-57(71)84-45-63(46-85-58(72)32-20-14-26-38-79-52(66)8-2,47-86-59(73)33-21-15-27-39-80-53(67)9-3)43-77-44-64(48-87-60(74)34-22-16-28-40-81-54(68)10-4,49-88-61(75)35-23-17-29-41-82-55(69)11-5)50-89-62(76)36-24-18-30-42-83-56(70)12-6/h7-12H,1-6,13-50H2.
What are the key properties of [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate?
[3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate has a molecular weight of 1263.43 g/mol, XLogP of 7.97, 58 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-prop-2-enoyloxyhexanoyloxy)-2-[[3-(6-prop-2-enoyloxyhexanoyloxy)-2,2-bis(6-prop-2-enoyloxyhexanoyloxymethyl)propoxy]methyl]-2-(6-prop-2-enoyloxyhexanoyloxymethyl)propyl] 6-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 59823963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).